N-methyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine

C11H17N3O — CID 80681720

IUPACN-methyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine
SMILESCNc1ccnc(C2(C)CCCCO2)n1
InChIInChI=1S/C11H17N3O/c1-11(6-3-4-8-15-11)10-13-7-5-9(12-2)14-10/h5,7H,3-4,6,8H2,1-2H3,(H,12,13,14)
InChIKeyFECKOXYGDFZNME-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.93
Rot. Bonds2

About N-methyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine

N-methyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine (PubChem CID 80681720) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-methyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine
PubChem CID80681720
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN-methyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine
SMILESCNc1ccnc(C2(C)CCCCO2)n1
InChIInChI=1S/C11H17N3O/c1-11(6-3-4-8-15-11)10-13-7-5-9(12-2)14-10/h5,7H,3-4,6,8H2,1-2H3,(H,12,13,14)
InChIKeyFECKOXYGDFZNME-UHFFFAOYSA-N
XLogP1.93
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine?
The IUPAC name of N-methyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine (CID 80681720) is N-methyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine?
The canonical SMILES for N-methyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine is CNc1ccnc(C2(C)CCCCO2)n1.
What is the InChIKey of N-methyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine?
The InChIKey is FECKOXYGDFZNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-11(6-3-4-8-15-11)10-13-7-5-9(12-2)14-10/h5,7H,3-4,6,8H2,1-2H3,(H,12,13,14).
What are the key properties of N-methyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine?
N-methyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine has a molecular weight of 207.28 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 80681720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).