(3S)-N-methyl-1-[1-(2-methylpropyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine

C13H24N4 — CID 141256103

IUPAC(3S)-N-methyl-1-[1-(2-methylpropyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine
SMILESCN[C@H]1CCN(C2=NCN(CC(C)C)C=C2)C1
InChIInChI=1S/C13H24N4/c1-11(2)8-16-6-5-13(15-10-16)17-7-4-12(9-17)14-3/h5-6,11-12,14H,4,7-10H2,1-3H3/t12-/m0/s1
InChIKeyBHPOQDIICWJIHI-LBPRGKRZSA-N
MW236.36 g/mol
LogP1.12
Rot. Bonds3

About (3S)-N-methyl-1-[1-(2-methylpropyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine

(3S)-N-methyl-1-[1-(2-methylpropyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine (PubChem CID 141256103) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is (3S)-N-methyl-1-[1-(2-methylpropyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-N-methyl-1-[1-(2-methylpropyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine
PubChem CID141256103
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name(3S)-N-methyl-1-[1-(2-methylpropyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine
SMILESCN[C@H]1CCN(C2=NCN(CC(C)C)C=C2)C1
InChIInChI=1S/C13H24N4/c1-11(2)8-16-6-5-13(15-10-16)17-7-4-12(9-17)14-3/h5-6,11-12,14H,4,7-10H2,1-3H3/t12-/m0/s1
InChIKeyBHPOQDIICWJIHI-LBPRGKRZSA-N
XLogP1.12
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-N-methyl-1-[1-(2-methylpropyl)-2H-pyrimidin-4-yl]pyrrolidin-3-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 (3S)-N-methyl-1-[1-(2-methylpropyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine?
The IUPAC name of (3S)-N-methyl-1-[1-(2-methylpropyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine (CID 141256103) is (3S)-N-methyl-1-[1-(2-methylpropyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine.
What is the SMILES notation for (3S)-N-methyl-1-[1-(2-methylpropyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine?
The canonical SMILES for (3S)-N-methyl-1-[1-(2-methylpropyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine is CN[C@H]1CCN(C2=NCN(CC(C)C)C=C2)C1.
What is the InChIKey of (3S)-N-methyl-1-[1-(2-methylpropyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine?
The InChIKey is BHPOQDIICWJIHI-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H24N4/c1-11(2)8-16-6-5-13(15-10-16)17-7-4-12(9-17)14-3/h5-6,11-12,14H,4,7-10H2,1-3H3/t12-/m0/s1.
What are the key properties of (3S)-N-methyl-1-[1-(2-methylpropyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine?
(3S)-N-methyl-1-[1-(2-methylpropyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine has a molecular weight of 236.36 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-1-[1-(2-methylpropyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine is sourced from PubChem (CID 141256103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).