2-methyl-6-[(2-methylbenzimidazol-1-yl)methyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrimidin-4-amine

C25H34N6O — CID 46958476

IUPAC2-methyl-6-[(2-methylbenzimidazol-1-yl)methyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrimidin-4-amine
SMILESCc1nc(Cn2c(C)nc3ccccc32)cc(NCC2(N3CCOCC3)CCCCC2)n1
InChIInChI=1S/C25H34N6O/c1-19-27-21(17-31-20(2)29-22-8-4-5-9-23(22)31)16-24(28-19)26-18-25(10-6-3-7-11-25)30-12-14-32-15-13-30/h4-5,8-9,16H,3,6-7,10-15,17-18H2,1-2H3,(H,26,27,28)
InChIKeyNRVWSPCTMYHITR-UHFFFAOYSA-N
MW434.59 g/mol
LogP3.94
Rot. Bonds6

About 2-methyl-6-[(2-methylbenzimidazol-1-yl)methyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrimidin-4-amine

2-methyl-6-[(2-methylbenzimidazol-1-yl)methyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrimidin-4-amine (PubChem CID 46958476) has the molecular formula C25H34N6O and a molecular weight of 434.59 g/mol. Its IUPAC name is 2-methyl-6-[(2-methylbenzimidazol-1-yl)methyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-[(2-methylbenzimidazol-1-yl)methyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrimidin-4-amine
PubChem CID46958476
Molecular FormulaC25H34N6O
Molecular Weight434.59 g/mol
Exact Mass434.28
IUPAC Name2-methyl-6-[(2-methylbenzimidazol-1-yl)methyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrimidin-4-amine
SMILESCc1nc(Cn2c(C)nc3ccccc32)cc(NCC2(N3CCOCC3)CCCCC2)n1
InChIInChI=1S/C25H34N6O/c1-19-27-21(17-31-20(2)29-22-8-4-5-9-23(22)31)16-24(28-19)26-18-25(10-6-3-7-11-25)30-12-14-32-15-13-30/h4-5,8-9,16H,3,6-7,10-15,17-18H2,1-2H3,(H,26,27,28)
InChIKeyNRVWSPCTMYHITR-UHFFFAOYSA-N
XLogP3.94
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.59
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(2-methylbenzimidazol-1-yl)methyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-6-[(2-methylbenzimidazol-1-yl)methyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrimidin-4-amine (CID 46958476) is 2-methyl-6-[(2-methylbenzimidazol-1-yl)methyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-[(2-methylbenzimidazol-1-yl)methyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-[(2-methylbenzimidazol-1-yl)methyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrimidin-4-amine is Cc1nc(Cn2c(C)nc3ccccc32)cc(NCC2(N3CCOCC3)CCCCC2)n1.
What is the InChIKey of 2-methyl-6-[(2-methylbenzimidazol-1-yl)methyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrimidin-4-amine?
The InChIKey is NRVWSPCTMYHITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O/c1-19-27-21(17-31-20(2)29-22-8-4-5-9-23(22)31)16-24(28-19)26-18-25(10-6-3-7-11-25)30-12-14-32-15-13-30/h4-5,8-9,16H,3,6-7,10-15,17-18H2,1-2H3,(H,26,27,28).
What are the key properties of 2-methyl-6-[(2-methylbenzimidazol-1-yl)methyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrimidin-4-amine?
2-methyl-6-[(2-methylbenzimidazol-1-yl)methyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrimidin-4-amine has a molecular weight of 434.59 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(2-methylbenzimidazol-1-yl)methyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 46958476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).