6-methoxy-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrimidin-4-amine

C12H20N4O — CID 39818605

IUPAC6-methoxy-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrimidin-4-amine
SMILESCOc1cc(NCC[C@H]2CCCN2C)ncn1
InChIInChI=1S/C12H20N4O/c1-16-7-3-4-10(16)5-6-13-11-8-12(17-2)15-9-14-11/h8-10H,3-7H2,1-2H3,(H,13,14,15)/t10-/m1/s1
InChIKeyKZGGLUPBUDOPQE-SNVBAGLBSA-N
MW236.32 g/mol
LogP1.38
Rot. Bonds5

About 6-methoxy-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrimidin-4-amine

6-methoxy-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrimidin-4-amine (PubChem CID 39818605) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 6-methoxy-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrimidin-4-amine
PubChem CID39818605
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name6-methoxy-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrimidin-4-amine
SMILESCOc1cc(NCC[C@H]2CCCN2C)ncn1
InChIInChI=1S/C12H20N4O/c1-16-7-3-4-10(16)5-6-13-11-8-12(17-2)15-9-14-11/h8-10H,3-7H2,1-2H3,(H,13,14,15)/t10-/m1/s1
InChIKeyKZGGLUPBUDOPQE-SNVBAGLBSA-N
XLogP1.38
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-methoxy-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]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 6-methoxy-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrimidin-4-amine?
The IUPAC name of 6-methoxy-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrimidin-4-amine (CID 39818605) is 6-methoxy-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrimidin-4-amine is COc1cc(NCC[C@H]2CCCN2C)ncn1.
What is the InChIKey of 6-methoxy-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrimidin-4-amine?
The InChIKey is KZGGLUPBUDOPQE-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H20N4O/c1-16-7-3-4-10(16)5-6-13-11-8-12(17-2)15-9-14-11/h8-10H,3-7H2,1-2H3,(H,13,14,15)/t10-/m1/s1.
What are the key properties of 6-methoxy-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrimidin-4-amine?
6-methoxy-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrimidin-4-amine has a molecular weight of 236.32 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrimidin-4-amine is sourced from PubChem (CID 39818605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).