1-[[4-[4-(5-amino-6-methoxypyrazin-2-yl)-2-tert-butyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propan-2-ylcarbamic acid

C20H27N9O3 — CID 66590928

IUPAC1-[[4-[4-(5-amino-6-methoxypyrazin-2-yl)-2-tert-butyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propan-2-ylcarbamic acid
SMILESCOc1nc(-c2nc(C(C)(C)C)[nH]c2-c2ccnc(NCC(C)NC(=O)O)n2)cnc1N
InChIInChI=1S/C20H27N9O3/c1-10(25-19(30)31)8-24-18-22-7-6-11(27-18)13-14(29-17(28-13)20(2,3)4)12-9-23-15(21)16(26-12)32-5/h6-7,9-10,25H,8H2,1-5H3,(H2,21,23)(H,28,29)(H,30,31)(H,22,24,27)
InChIKeyAMTRHWCISDJDBC-UHFFFAOYSA-N
MW441.50 g/mol
LogP2.28
Rot. Bonds7

About 1-[[4-[4-(5-amino-6-methoxypyrazin-2-yl)-2-tert-butyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propan-2-ylcarbamic acid

1-[[4-[4-(5-amino-6-methoxypyrazin-2-yl)-2-tert-butyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propan-2-ylcarbamic acid (PubChem CID 66590928) has the molecular formula C20H27N9O3 and a molecular weight of 441.50 g/mol. Its IUPAC name is 1-[[4-[4-(5-amino-6-methoxypyrazin-2-yl)-2-tert-butyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propan-2-ylcarbamic acid.

Molecular Properties

Compound Name1-[[4-[4-(5-amino-6-methoxypyrazin-2-yl)-2-tert-butyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propan-2-ylcarbamic acid
PubChem CID66590928
Molecular FormulaC20H27N9O3
Molecular Weight441.50 g/mol
Exact Mass441.22
IUPAC Name1-[[4-[4-(5-amino-6-methoxypyrazin-2-yl)-2-tert-butyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propan-2-ylcarbamic acid
SMILESCOc1nc(-c2nc(C(C)(C)C)[nH]c2-c2ccnc(NCC(C)NC(=O)O)n2)cnc1N
InChIInChI=1S/C20H27N9O3/c1-10(25-19(30)31)8-24-18-22-7-6-11(27-18)13-14(29-17(28-13)20(2,3)4)12-9-23-15(21)16(26-12)32-5/h6-7,9-10,25H,8H2,1-5H3,(H2,21,23)(H,28,29)(H,30,31)(H,22,24,27)
InChIKeyAMTRHWCISDJDBC-UHFFFAOYSA-N
XLogP2.28
TPSA176.85 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 52.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze 1-[[4-[4-(5-amino-6-methoxypyrazin-2-yl)-2-tert-butyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propan-2-ylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-[1-[[4-[4-[5-amino-6-(fluoromethoxy)pyrazin-2-yl]-2-tert-butyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]carbamate
CID 66591463
methyl N-[1-[[4-[4-[5-amino-6-(trifluoromethoxy)pyrazin-2-yl]-2-tert-butyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]carbamate
CID 66591212
1-[1-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-tert-butyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-3-methylurea
CID 66591456
(2S)-N-[(2S)-1-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-tert-butyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxypropanamide
CID 59137334
N-[(2S)-1-[[4-[4-(5-amino-6-methoxypyrazin-2-yl)-2-[2-fluoro-4-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide
CID 59137303
N-[(2S)-1-[[4-[4-(5-amino-6-methoxypyrazin-2-yl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide
CID 59137446
methyl N-[(2S)-1-[[4-[2-tert-butyl-4-(1H-indol-5-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]carbamate
CID 59137313
(2R)-N-[(2S)-2-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-tert-butyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propyl]-2-methoxypropanamide
CID 59137408
methyl N-[(2S)-1-[[4-[4-(3a,7a-dihydro-1H-indol-5-yl)-2-tert-butyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]carbamate
CID 70970665
1-[[4-[2-tert-butyl-4-[3-chloro-5-(1,1,2-trifluoroethylsulfonylamino)phenyl]-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propan-2-ylcarbamic acid
CID 90465608
methyl N-[(2S)-1-[[4-[2-tert-butyl-4-[3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]carbamate
CID 59137374
3-methoxy-5-[5-[2-[(2-methoxy-4-pyridinyl)amino]pyrimidin-4-yl]-2-methyl-1H-imidazol-4-yl]pyrazin-2-amine
CID 59137557

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[4-(5-amino-6-methoxypyrazin-2-yl)-2-tert-butyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propan-2-ylcarbamic acid?
The IUPAC name of 1-[[4-[4-(5-amino-6-methoxypyrazin-2-yl)-2-tert-butyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propan-2-ylcarbamic acid (CID 66590928) is 1-[[4-[4-(5-amino-6-methoxypyrazin-2-yl)-2-tert-butyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propan-2-ylcarbamic acid.
What is the SMILES notation for 1-[[4-[4-(5-amino-6-methoxypyrazin-2-yl)-2-tert-butyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propan-2-ylcarbamic acid?
The canonical SMILES for 1-[[4-[4-(5-amino-6-methoxypyrazin-2-yl)-2-tert-butyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propan-2-ylcarbamic acid is COc1nc(-c2nc(C(C)(C)C)[nH]c2-c2ccnc(NCC(C)NC(=O)O)n2)cnc1N.
What is the InChIKey of 1-[[4-[4-(5-amino-6-methoxypyrazin-2-yl)-2-tert-butyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propan-2-ylcarbamic acid?
The InChIKey is AMTRHWCISDJDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N9O3/c1-10(25-19(30)31)8-24-18-22-7-6-11(27-18)13-14(29-17(28-13)20(2,3)4)12-9-23-15(21)16(26-12)32-5/h6-7,9-10,25H,8H2,1-5H3,(H2,21,23)(H,28,29)(H,30,31)(H,22,24,27).
What are the key properties of 1-[[4-[4-(5-amino-6-methoxypyrazin-2-yl)-2-tert-butyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propan-2-ylcarbamic acid?
1-[[4-[4-(5-amino-6-methoxypyrazin-2-yl)-2-tert-butyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propan-2-ylcarbamic acid has a molecular weight of 441.50 g/mol, XLogP of 2.28, 7 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[4-(5-amino-6-methoxypyrazin-2-yl)-2-tert-butyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propan-2-ylcarbamic acid is sourced from PubChem (CID 66590928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).