(3S)-N,N-dimethyl-1-(6-methyl-2-propylpyrimidin-4-yl)pyrrolidin-3-amine

C14H24N4 — CID 95144436

IUPAC(3S)-N,N-dimethyl-1-(6-methyl-2-propylpyrimidin-4-yl)pyrrolidin-3-amine
SMILESCCCc1nc(C)cc(N2CC[C@H](N(C)C)C2)n1
InChIInChI=1S/C14H24N4/c1-5-6-13-15-11(2)9-14(16-13)18-8-7-12(10-18)17(3)4/h9,12H,5-8,10H2,1-4H3/t12-/m0/s1
InChIKeyVOHIJMVYNQULDM-LBPRGKRZSA-N
MW248.37 g/mol
LogP1.88
Rot. Bonds4

About (3S)-N,N-dimethyl-1-(6-methyl-2-propylpyrimidin-4-yl)pyrrolidin-3-amine

(3S)-N,N-dimethyl-1-(6-methyl-2-propylpyrimidin-4-yl)pyrrolidin-3-amine (PubChem CID 95144436) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is (3S)-N,N-dimethyl-1-(6-methyl-2-propylpyrimidin-4-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-N,N-dimethyl-1-(6-methyl-2-propylpyrimidin-4-yl)pyrrolidin-3-amine
PubChem CID95144436
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name(3S)-N,N-dimethyl-1-(6-methyl-2-propylpyrimidin-4-yl)pyrrolidin-3-amine
SMILESCCCc1nc(C)cc(N2CC[C@H](N(C)C)C2)n1
InChIInChI=1S/C14H24N4/c1-5-6-13-15-11(2)9-14(16-13)18-8-7-12(10-18)17(3)4/h9,12H,5-8,10H2,1-4H3/t12-/m0/s1
InChIKeyVOHIJMVYNQULDM-LBPRGKRZSA-N
XLogP1.88
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-dimethyl-1-(6-methyl-2-propylpyrimidin-4-yl)pyrrolidin-3-amine?
The IUPAC name of (3S)-N,N-dimethyl-1-(6-methyl-2-propylpyrimidin-4-yl)pyrrolidin-3-amine (CID 95144436) is (3S)-N,N-dimethyl-1-(6-methyl-2-propylpyrimidin-4-yl)pyrrolidin-3-amine.
What is the SMILES notation for (3S)-N,N-dimethyl-1-(6-methyl-2-propylpyrimidin-4-yl)pyrrolidin-3-amine?
The canonical SMILES for (3S)-N,N-dimethyl-1-(6-methyl-2-propylpyrimidin-4-yl)pyrrolidin-3-amine is CCCc1nc(C)cc(N2CC[C@H](N(C)C)C2)n1.
What is the InChIKey of (3S)-N,N-dimethyl-1-(6-methyl-2-propylpyrimidin-4-yl)pyrrolidin-3-amine?
The InChIKey is VOHIJMVYNQULDM-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H24N4/c1-5-6-13-15-11(2)9-14(16-13)18-8-7-12(10-18)17(3)4/h9,12H,5-8,10H2,1-4H3/t12-/m0/s1.
What are the key properties of (3S)-N,N-dimethyl-1-(6-methyl-2-propylpyrimidin-4-yl)pyrrolidin-3-amine?
(3S)-N,N-dimethyl-1-(6-methyl-2-propylpyrimidin-4-yl)pyrrolidin-3-amine has a molecular weight of 248.37 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-dimethyl-1-(6-methyl-2-propylpyrimidin-4-yl)pyrrolidin-3-amine is sourced from PubChem (CID 95144436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).