tert-butyl N-[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]carbamate

C22H34N6O2 — CID 42632601

IUPACtert-butyl N-[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]carbamate
SMILESCc1ncc(-c2ccnc(NC3CCC(NC(=O)OC(C)(C)C)CC3)n2)n1C(C)C
InChIInChI=1S/C22H34N6O2/c1-14(2)28-15(3)24-13-19(28)18-11-12-23-20(27-18)25-16-7-9-17(10-8-16)26-21(29)30-22(4,5)6/h11-14,16-17H,7-10H2,1-6H3,(H,26,29)(H,23,25,27)
InChIKeyUZPCLNCYAQEUBK-UHFFFAOYSA-N
MW414.55 g/mol
LogP4.48
Rot. Bonds5

About tert-butyl N-[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]carbamate

tert-butyl N-[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]carbamate (PubChem CID 42632601) has the molecular formula C22H34N6O2 and a molecular weight of 414.55 g/mol. Its IUPAC name is tert-butyl N-[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]carbamate
PubChem CID42632601
Molecular FormulaC22H34N6O2
Molecular Weight414.55 g/mol
Exact Mass414.27
IUPAC Nametert-butyl N-[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]carbamate
SMILESCc1ncc(-c2ccnc(NC3CCC(NC(=O)OC(C)(C)C)CC3)n2)n1C(C)C
InChIInChI=1S/C22H34N6O2/c1-14(2)28-15(3)24-13-19(28)18-11-12-23-20(27-18)25-16-7-9-17(10-8-16)26-21(29)30-22(4,5)6/h11-14,16-17H,7-10H2,1-6H3,(H,26,29)(H,23,25,27)
InChIKeyUZPCLNCYAQEUBK-UHFFFAOYSA-N
XLogP4.48
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]carbamate 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

4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclohexane-1-carboxylic acid
CID 68556119
N-[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]methanesulfonamide
CID 24866855
4-N,4-N-dimethyl-1-N-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 68557934
N-cyclopropyl-4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide
CID 44563066
N-(1-ethenylsulfonylpiperidin-4-yl)-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine
CID 69066560
1-[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]piperidin-1-yl]-2-piperidin-4-ylethanone
CID 69071474
N-(1-methylpiperidin-4-yl)-4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide
CID 44563117
tert-butyl N-[2-[2-[[4-[8-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]carbamate
CID 123425162
N-(1,1-dioxothiolan-3-yl)-4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide
CID 69078926
2-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylic acid
CID 59145173
2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]quinazoline-7-carboxylic acid
CID 58082225
tert-butyl N-[4-[(5-ethenylpyrimidin-2-yl)amino]cyclohexyl]carbamate
CID 146882600

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]carbamate (CID 42632601) is tert-butyl N-[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]carbamate is Cc1ncc(-c2ccnc(NC3CCC(NC(=O)OC(C)(C)C)CC3)n2)n1C(C)C.
What is the InChIKey of tert-butyl N-[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]carbamate?
The InChIKey is UZPCLNCYAQEUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N6O2/c1-14(2)28-15(3)24-13-19(28)18-11-12-23-20(27-18)25-16-7-9-17(10-8-16)26-21(29)30-22(4,5)6/h11-14,16-17H,7-10H2,1-6H3,(H,26,29)(H,23,25,27).
What are the key properties of tert-butyl N-[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]carbamate?
tert-butyl N-[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]carbamate has a molecular weight of 414.55 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]carbamate is sourced from PubChem (CID 42632601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).