2-tert-butyl-N-(3-imidazol-1-yl-2-methylpropyl)-6-(methoxymethyl)pyrimidin-4-amine

C17H27N5O — CID 75426536

IUPAC2-tert-butyl-N-(3-imidazol-1-yl-2-methylpropyl)-6-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1cc(NCC(C)Cn2ccnc2)nc(C(C)(C)C)n1
InChIInChI=1S/C17H27N5O/c1-13(10-22-7-6-18-12-22)9-19-15-8-14(11-23-5)20-16(21-15)17(2,3)4/h6-8,12-13H,9-11H2,1-5H3,(H,19,20,21)
InChIKeyTUPPIWDYBGLYNB-UHFFFAOYSA-N
MW317.44 g/mol
LogP2.87
Rot. Bonds7

About 2-tert-butyl-N-(3-imidazol-1-yl-2-methylpropyl)-6-(methoxymethyl)pyrimidin-4-amine

2-tert-butyl-N-(3-imidazol-1-yl-2-methylpropyl)-6-(methoxymethyl)pyrimidin-4-amine (PubChem CID 75426536) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is 2-tert-butyl-N-(3-imidazol-1-yl-2-methylpropyl)-6-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-(3-imidazol-1-yl-2-methylpropyl)-6-(methoxymethyl)pyrimidin-4-amine
PubChem CID75426536
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name2-tert-butyl-N-(3-imidazol-1-yl-2-methylpropyl)-6-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1cc(NCC(C)Cn2ccnc2)nc(C(C)(C)C)n1
InChIInChI=1S/C17H27N5O/c1-13(10-22-7-6-18-12-22)9-19-15-8-14(11-23-5)20-16(21-15)17(2,3)4/h6-8,12-13H,9-11H2,1-5H3,(H,19,20,21)
InChIKeyTUPPIWDYBGLYNB-UHFFFAOYSA-N
XLogP2.87
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-tert-butyl-6-(methoxymethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrimidin-4-amine
CID 133402436
2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 133402202
2-tert-butyl-6-(methoxymethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine
CID 133400520
5-chloro-N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-8-methylquinolin-2-amine
CID 97257201
2-tert-butyl-6-chloro-N-(4-imidazol-1-ylbutyl)pyrimidin-4-amine
CID 80946117
2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-1-(4-chloro-3-fluorophenyl)ethanol
CID 133430921
2-tert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(methoxymethyl)pyrimidin-4-amine
CID 133405511
2-tert-butyl-6-(methoxymethyl)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)pyrimidin-4-amine
CID 133402718
2-tert-butyl-6-(methoxymethyl)-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine
CID 133402820
N-[(2S)-3-imidazol-1-yl-2-methylpropyl]-4-methyl-5-nitropyridin-2-amine
CID 124505464
2-tert-butyl-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine
CID 133404847
3-imidazol-1-yl-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine
CID 60595533

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(3-imidazol-1-yl-2-methylpropyl)-6-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-N-(3-imidazol-1-yl-2-methylpropyl)-6-(methoxymethyl)pyrimidin-4-amine (CID 75426536) is 2-tert-butyl-N-(3-imidazol-1-yl-2-methylpropyl)-6-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-(3-imidazol-1-yl-2-methylpropyl)-6-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-N-(3-imidazol-1-yl-2-methylpropyl)-6-(methoxymethyl)pyrimidin-4-amine is COCc1cc(NCC(C)Cn2ccnc2)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-N-(3-imidazol-1-yl-2-methylpropyl)-6-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is TUPPIWDYBGLYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-13(10-22-7-6-18-12-22)9-19-15-8-14(11-23-5)20-16(21-15)17(2,3)4/h6-8,12-13H,9-11H2,1-5H3,(H,19,20,21).
What are the key properties of 2-tert-butyl-N-(3-imidazol-1-yl-2-methylpropyl)-6-(methoxymethyl)pyrimidin-4-amine?
2-tert-butyl-N-(3-imidazol-1-yl-2-methylpropyl)-6-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 317.44 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(3-imidazol-1-yl-2-methylpropyl)-6-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 75426536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).