4-(benzimidazol-1-yl)-N-(oxan-4-yl)pyrimidin-2-amine

C16H17N5O — CID 129086041

IUPAC4-(benzimidazol-1-yl)-N-(oxan-4-yl)pyrimidin-2-amine
SMILESc1ccc2c(c1)ncn2-c1ccnc(NC2CCOCC2)n1
InChIInChI=1S/C16H17N5O/c1-2-4-14-13(3-1)18-11-21(14)15-5-8-17-16(20-15)19-12-6-9-22-10-7-12/h1-5,8,11-12H,6-7,9-10H2,(H,17,19,20)
InChIKeyQUFSPIHVCCPJER-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.41
Rot. Bonds3

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

4-(benzimidazol-1-yl)-N-(oxan-4-yl)pyrimidin-2-amine (PubChem CID 129086041) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-N-(oxan-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-N-(oxan-4-yl)pyrimidin-2-amine
PubChem CID129086041
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name4-(benzimidazol-1-yl)-N-(oxan-4-yl)pyrimidin-2-amine
SMILESc1ccc2c(c1)ncn2-c1ccnc(NC2CCOCC2)n1
InChIInChI=1S/C16H17N5O/c1-2-4-14-13(3-1)18-11-21(14)15-5-8-17-16(20-15)19-12-6-9-22-10-7-12/h1-5,8,11-12H,6-7,9-10H2,(H,17,19,20)
InChIKeyQUFSPIHVCCPJER-UHFFFAOYSA-N
XLogP2.41
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-N-(oxan-4-yl)pyrimidin-2-amine?
The IUPAC name of 4-(benzimidazol-1-yl)-N-(oxan-4-yl)pyrimidin-2-amine (CID 129086041) is 4-(benzimidazol-1-yl)-N-(oxan-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(benzimidazol-1-yl)-N-(oxan-4-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(benzimidazol-1-yl)-N-(oxan-4-yl)pyrimidin-2-amine is c1ccc2c(c1)ncn2-c1ccnc(NC2CCOCC2)n1.
What is the InChIKey of 4-(benzimidazol-1-yl)-N-(oxan-4-yl)pyrimidin-2-amine?
The InChIKey is QUFSPIHVCCPJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-2-4-14-13(3-1)18-11-21(14)15-5-8-17-16(20-15)19-12-6-9-22-10-7-12/h1-5,8,11-12H,6-7,9-10H2,(H,17,19,20).
What are the key properties of 4-(benzimidazol-1-yl)-N-(oxan-4-yl)pyrimidin-2-amine?
4-(benzimidazol-1-yl)-N-(oxan-4-yl)pyrimidin-2-amine has a molecular weight of 295.35 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-N-(oxan-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 129086041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).