N-methyl-6-(1-methylimidazol-2-yl)-N-(oxan-4-yl)pyrimidin-4-amine

C14H19N5O — CID 90453375

IUPACN-methyl-6-(1-methylimidazol-2-yl)-N-(oxan-4-yl)pyrimidin-4-amine
SMILESCN(c1cc(-c2nccn2C)ncn1)C1CCOCC1
InChIInChI=1S/C14H19N5O/c1-18-6-5-15-14(18)12-9-13(17-10-16-12)19(2)11-3-7-20-8-4-11/h5-6,9-11H,3-4,7-8H2,1-2H3
InChIKeyCWDFRYZDQIXZGA-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.49
Rot. Bonds3

About N-methyl-6-(1-methylimidazol-2-yl)-N-(oxan-4-yl)pyrimidin-4-amine

N-methyl-6-(1-methylimidazol-2-yl)-N-(oxan-4-yl)pyrimidin-4-amine (PubChem CID 90453375) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is N-methyl-6-(1-methylimidazol-2-yl)-N-(oxan-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-(1-methylimidazol-2-yl)-N-(oxan-4-yl)pyrimidin-4-amine
PubChem CID90453375
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC NameN-methyl-6-(1-methylimidazol-2-yl)-N-(oxan-4-yl)pyrimidin-4-amine
SMILESCN(c1cc(-c2nccn2C)ncn1)C1CCOCC1
InChIInChI=1S/C14H19N5O/c1-18-6-5-15-14(18)12-9-13(17-10-16-12)19(2)11-3-7-20-8-4-11/h5-6,9-11H,3-4,7-8H2,1-2H3
InChIKeyCWDFRYZDQIXZGA-UHFFFAOYSA-N
XLogP1.49
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(1-methylimidazol-2-yl)-N-(oxan-4-yl)pyrimidin-4-amine?
The IUPAC name of N-methyl-6-(1-methylimidazol-2-yl)-N-(oxan-4-yl)pyrimidin-4-amine (CID 90453375) is N-methyl-6-(1-methylimidazol-2-yl)-N-(oxan-4-yl)pyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-(1-methylimidazol-2-yl)-N-(oxan-4-yl)pyrimidin-4-amine?
The canonical SMILES for N-methyl-6-(1-methylimidazol-2-yl)-N-(oxan-4-yl)pyrimidin-4-amine is CN(c1cc(-c2nccn2C)ncn1)C1CCOCC1.
What is the InChIKey of N-methyl-6-(1-methylimidazol-2-yl)-N-(oxan-4-yl)pyrimidin-4-amine?
The InChIKey is CWDFRYZDQIXZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-18-6-5-15-14(18)12-9-13(17-10-16-12)19(2)11-3-7-20-8-4-11/h5-6,9-11H,3-4,7-8H2,1-2H3.
What are the key properties of N-methyl-6-(1-methylimidazol-2-yl)-N-(oxan-4-yl)pyrimidin-4-amine?
N-methyl-6-(1-methylimidazol-2-yl)-N-(oxan-4-yl)pyrimidin-4-amine has a molecular weight of 273.34 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(1-methylimidazol-2-yl)-N-(oxan-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 90453375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).