4-(benzimidazol-1-yl)-N-(morpholin-2-ylmethyl)pyrimidin-2-amine

C16H18N6O — CID 15549651

IUPAC4-(benzimidazol-1-yl)-N-(morpholin-2-ylmethyl)pyrimidin-2-amine
SMILESc1ccc2c(c1)ncn2-c1ccnc(NCC2CNCCO2)n1
InChIInChI=1S/C16H18N6O/c1-2-4-14-13(3-1)20-11-22(14)15-5-6-18-16(21-15)19-10-12-9-17-7-8-23-12/h1-6,11-12,17H,7-10H2,(H,18,19,21)
InChIKeyKCLWTBIAARMSPR-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.22
Rot. Bonds4

About 4-(benzimidazol-1-yl)-N-(morpholin-2-ylmethyl)pyrimidin-2-amine

4-(benzimidazol-1-yl)-N-(morpholin-2-ylmethyl)pyrimidin-2-amine (PubChem CID 15549651) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-N-(morpholin-2-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-N-(morpholin-2-ylmethyl)pyrimidin-2-amine
PubChem CID15549651
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name4-(benzimidazol-1-yl)-N-(morpholin-2-ylmethyl)pyrimidin-2-amine
SMILESc1ccc2c(c1)ncn2-c1ccnc(NCC2CNCCO2)n1
InChIInChI=1S/C16H18N6O/c1-2-4-14-13(3-1)20-11-22(14)15-5-6-18-16(21-15)19-10-12-9-17-7-8-23-12/h1-6,11-12,17H,7-10H2,(H,18,19,21)
InChIKeyKCLWTBIAARMSPR-UHFFFAOYSA-N
XLogP1.22
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(benzimidazol-1-yl)-N-ethylpyrimidin-2-amine
CID 80854162
4-N-ethyl-2-N-(morpholin-2-ylmethyl)pyrimidine-2,4-diamine
CID 50969566
4-N-ethyl-2-N-[[(2R)-morpholin-2-yl]methyl]pyrimidine-2,4-diamine
CID 95131628
4-(benzimidazol-1-yl)-N-prop-2-enylpyrimidin-2-amine
CID 70003536
4-N-ethyl-2-N-(morpholin-2-ylmethyl)pyrimidine-2,4-diamine;dihydrochloride
CID 154889452
4-(benzimidazol-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidin-2-amine
CID 18375438
4-(benzimidazol-1-yl)-N-[(4-methylphenyl)methyl]pyrimidin-2-amine
CID 18375779
[3-[[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]methyl]pyrrolidin-1-yl]-phenylmethanone
CID 139939767
4-N-[4-(benzimidazol-1-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 146244080
5-methyl-N-(morpholin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 113287220
4-(morpholin-2-ylmethylamino)quinoline-3-carboxamide
CID 115324262
1-(2-methylpyrimidin-4-yl)benzimidazole
CID 112695167

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-N-(morpholin-2-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 4-(benzimidazol-1-yl)-N-(morpholin-2-ylmethyl)pyrimidin-2-amine (CID 15549651) is 4-(benzimidazol-1-yl)-N-(morpholin-2-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(benzimidazol-1-yl)-N-(morpholin-2-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(benzimidazol-1-yl)-N-(morpholin-2-ylmethyl)pyrimidin-2-amine is c1ccc2c(c1)ncn2-c1ccnc(NCC2CNCCO2)n1.
What is the InChIKey of 4-(benzimidazol-1-yl)-N-(morpholin-2-ylmethyl)pyrimidin-2-amine?
The InChIKey is KCLWTBIAARMSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-2-4-14-13(3-1)20-11-22(14)15-5-6-18-16(21-15)19-10-12-9-17-7-8-23-12/h1-6,11-12,17H,7-10H2,(H,18,19,21).
What are the key properties of 4-(benzimidazol-1-yl)-N-(morpholin-2-ylmethyl)pyrimidin-2-amine?
4-(benzimidazol-1-yl)-N-(morpholin-2-ylmethyl)pyrimidin-2-amine has a molecular weight of 310.36 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-N-(morpholin-2-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 15549651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).