4,5-dimethyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine

C11H19N5 — CID 24994950

IUPAC4,5-dimethyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
SMILESCN[C@@H]1CCN(c2nc(N)nc(C)c2C)C1
InChIInChI=1S/C11H19N5/c1-7-8(2)14-11(12)15-10(7)16-5-4-9(6-16)13-3/h9,13H,4-6H2,1-3H3,(H2,12,14,15)/t9-/m1/s1
InChIKeyHPSGKSCELIIDOB-SECBINFHSA-N
MW221.31 g/mol
LogP0.47
Rot. Bonds2

About 4,5-dimethyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine

4,5-dimethyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine (PubChem CID 24994950) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 4,5-dimethyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4,5-dimethyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
PubChem CID24994950
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name4,5-dimethyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
SMILESCN[C@@H]1CCN(c2nc(N)nc(C)c2C)C1
InChIInChI=1S/C11H19N5/c1-7-8(2)14-11(12)15-10(7)16-5-4-9(6-16)13-3/h9,13H,4-6H2,1-3H3,(H2,12,14,15)/t9-/m1/s1
InChIKeyHPSGKSCELIIDOB-SECBINFHSA-N
XLogP0.47
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4,5-dimethyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-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 4,5-dimethyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4,5-dimethyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine (CID 24994950) is 4,5-dimethyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4,5-dimethyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4,5-dimethyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine is CN[C@@H]1CCN(c2nc(N)nc(C)c2C)C1.
What is the InChIKey of 4,5-dimethyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
The InChIKey is HPSGKSCELIIDOB-SECBINFHSA-N. The full InChI is InChI=1S/C11H19N5/c1-7-8(2)14-11(12)15-10(7)16-5-4-9(6-16)13-3/h9,13H,4-6H2,1-3H3,(H2,12,14,15)/t9-/m1/s1.
What are the key properties of 4,5-dimethyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
4,5-dimethyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine has a molecular weight of 221.31 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 24994950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).