N,2-dimethyl-6-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine

C16H26N4O — CID 110113625

IUPACN,2-dimethyl-6-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine
SMILESCNc1cc(C2CCCN2CC2CCOCC2)nc(C)n1
InChIInChI=1S/C16H26N4O/c1-12-18-14(10-16(17-2)19-12)15-4-3-7-20(15)11-13-5-8-21-9-6-13/h10,13,15H,3-9,11H2,1-2H3,(H,17,18,19)
InChIKeyPWLYWPSSTHRCJN-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.39
Rot. Bonds4

About N,2-dimethyl-6-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine

N,2-dimethyl-6-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine (PubChem CID 110113625) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N,2-dimethyl-6-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-6-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine
PubChem CID110113625
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN,2-dimethyl-6-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine
SMILESCNc1cc(C2CCCN2CC2CCOCC2)nc(C)n1
InChIInChI=1S/C16H26N4O/c1-12-18-14(10-16(17-2)19-12)15-4-3-7-20(15)11-13-5-8-21-9-6-13/h10,13,15H,3-9,11H2,1-2H3,(H,17,18,19)
InChIKeyPWLYWPSSTHRCJN-UHFFFAOYSA-N
XLogP2.39
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,2-dimethyl-6-[1-(oxan-4-ylmethyl)pyrrolidin-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,2-dimethyl-6-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine?
The IUPAC name of N,2-dimethyl-6-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine (CID 110113625) is N,2-dimethyl-6-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine.
What is the SMILES notation for N,2-dimethyl-6-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine?
The canonical SMILES for N,2-dimethyl-6-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine is CNc1cc(C2CCCN2CC2CCOCC2)nc(C)n1.
What is the InChIKey of N,2-dimethyl-6-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine?
The InChIKey is PWLYWPSSTHRCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-12-18-14(10-16(17-2)19-12)15-4-3-7-20(15)11-13-5-8-21-9-6-13/h10,13,15H,3-9,11H2,1-2H3,(H,17,18,19).
What are the key properties of N,2-dimethyl-6-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine?
N,2-dimethyl-6-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine has a molecular weight of 290.41 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-6-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 110113625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).