4-(benzimidazol-1-yl)-6-(methoxymethyl)-N-[(1S)-1-phenylethyl]pyrimidin-2-amine

C21H21N5O — CID 59924790

IUPAC4-(benzimidazol-1-yl)-6-(methoxymethyl)-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
SMILESCOCc1cc(-n2cnc3ccccc32)nc(N[C@@H](C)c2ccccc2)n1
InChIInChI=1S/C21H21N5O/c1-15(16-8-4-3-5-9-16)23-21-24-17(13-27-2)12-20(25-21)26-14-22-18-10-6-7-11-19(18)26/h3-12,14-15H,13H2,1-2H3,(H,23,24,25)/t15-/m0/s1
InChIKeyKUEWQYBEVXSFDG-HNNXBMFYSA-N
MW359.43 g/mol
LogP4.14
Rot. Bonds6

About 4-(benzimidazol-1-yl)-6-(methoxymethyl)-N-[(1S)-1-phenylethyl]pyrimidin-2-amine

4-(benzimidazol-1-yl)-6-(methoxymethyl)-N-[(1S)-1-phenylethyl]pyrimidin-2-amine (PubChem CID 59924790) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-6-(methoxymethyl)-N-[(1S)-1-phenylethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-6-(methoxymethyl)-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
PubChem CID59924790
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name4-(benzimidazol-1-yl)-6-(methoxymethyl)-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
SMILESCOCc1cc(-n2cnc3ccccc32)nc(N[C@@H](C)c2ccccc2)n1
InChIInChI=1S/C21H21N5O/c1-15(16-8-4-3-5-9-16)23-21-24-17(13-27-2)12-20(25-21)26-14-22-18-10-6-7-11-19(18)26/h3-12,14-15H,13H2,1-2H3,(H,23,24,25)/t15-/m0/s1
InChIKeyKUEWQYBEVXSFDG-HNNXBMFYSA-N
XLogP4.14
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(benzimidazol-1-yl)-6-(methoxymethyl)-N-(1-phenylethyl)pyrimidin-2-amine
CID 18375677
4-(benzimidazol-1-yl)-6-phenyl-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
CID 59924822
4-azido-6-(benzimidazol-1-yl)-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
CID 86758760
4-(5-methoxybenzimidazol-1-yl)-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
CID 59924945
N-dimethoxyphosphoryl-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-amine
CID 59924948
3-[2-(1-phenylethylamino)pyrimidin-4-yl]-N-pyrimidin-2-ylbenzimidazol-5-amine
CID 18375612
N-(1-phenylethyl)-4-(5-pyridin-3-ylbenzimidazol-1-yl)pyrimidin-2-amine
CID 18375556
N-(1-phenylethyl)-4-[5-(6-phenylpyridazin-3-yl)benzimidazol-1-yl]pyrimidin-2-amine
CID 18375700
N,N'-diamino-3-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazole-5-carboximidamide
CID 142035815
4-(benzimidazol-1-yl)-N-[1-(furan-2-yl)ethyl]pyrimidin-2-amine;molecular hydrogen
CID 142035804
4-[5-(2-methylphenyl)benzimidazol-1-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
CID 59924910
4-(5-nitrobenzimidazol-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
CID 18375448

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-6-(methoxymethyl)-N-[(1S)-1-phenylethyl]pyrimidin-2-amine?
The IUPAC name of 4-(benzimidazol-1-yl)-6-(methoxymethyl)-N-[(1S)-1-phenylethyl]pyrimidin-2-amine (CID 59924790) is 4-(benzimidazol-1-yl)-6-(methoxymethyl)-N-[(1S)-1-phenylethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(benzimidazol-1-yl)-6-(methoxymethyl)-N-[(1S)-1-phenylethyl]pyrimidin-2-amine?
The canonical SMILES for 4-(benzimidazol-1-yl)-6-(methoxymethyl)-N-[(1S)-1-phenylethyl]pyrimidin-2-amine is COCc1cc(-n2cnc3ccccc32)nc(N[C@@H](C)c2ccccc2)n1.
What is the InChIKey of 4-(benzimidazol-1-yl)-6-(methoxymethyl)-N-[(1S)-1-phenylethyl]pyrimidin-2-amine?
The InChIKey is KUEWQYBEVXSFDG-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-15(16-8-4-3-5-9-16)23-21-24-17(13-27-2)12-20(25-21)26-14-22-18-10-6-7-11-19(18)26/h3-12,14-15H,13H2,1-2H3,(H,23,24,25)/t15-/m0/s1.
What are the key properties of 4-(benzimidazol-1-yl)-6-(methoxymethyl)-N-[(1S)-1-phenylethyl]pyrimidin-2-amine?
4-(benzimidazol-1-yl)-6-(methoxymethyl)-N-[(1S)-1-phenylethyl]pyrimidin-2-amine has a molecular weight of 359.43 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-6-(methoxymethyl)-N-[(1S)-1-phenylethyl]pyrimidin-2-amine is sourced from PubChem (CID 59924790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).