6-(3,3-dimethylpyrrolidin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine

C16H28N4 — CID 80855091

IUPAC6-(3,3-dimethylpyrrolidin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(N2CCC(C)(C)C2)c1C(C)C
InChIInChI=1S/C16H28N4/c1-6-8-17-14-13(12(2)3)15(19-11-18-14)20-9-7-16(4,5)10-20/h11-12H,6-10H2,1-5H3,(H,17,18,19)
InChIKeyKREDWKOMNCFWEL-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.66
Rot. Bonds5

About 6-(3,3-dimethylpyrrolidin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine

6-(3,3-dimethylpyrrolidin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine (PubChem CID 80855091) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 6-(3,3-dimethylpyrrolidin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,3-dimethylpyrrolidin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine
PubChem CID80855091
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name6-(3,3-dimethylpyrrolidin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(N2CCC(C)(C)C2)c1C(C)C
InChIInChI=1S/C16H28N4/c1-6-8-17-14-13(12(2)3)15(19-11-18-14)20-9-7-16(4,5)10-20/h11-12H,6-10H2,1-5H3,(H,17,18,19)
InChIKeyKREDWKOMNCFWEL-UHFFFAOYSA-N
XLogP3.66
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(3,3-dimethylpyrrolidin-1-yl)-5-propan-2-yl-N-propylpyrimidin-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

Related Compounds

6-(3,3-dimethylpyrrolidin-1-yl)-N,5-dipropylpyrimidin-4-amine
CID 80855379
6-(3,3-dimethylpiperidin-1-yl)-5-methyl-N-propylpyrimidin-4-amine
CID 80835703
6-(4-ethylpiperazin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 80749906
1-[1-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol
CID 115967468
3-methyl-1-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol
CID 114684012
6-(3-methoxypiperidin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 102971484
N,3-dimethyl-1-[5-methyl-6-(propylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 106322286
4-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]-1,4-diazepan-2-one
CID 80827636
6-(3,3-dimethylpyrrolidin-1-yl)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 80854736
1-[5-methoxy-6-(propylamino)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol
CID 103358871
6-(3,3-dimethylpiperidin-1-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80835406
6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 80857269

Frequently Asked Questions

What is the IUPAC name of 6-(3,3-dimethylpyrrolidin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(3,3-dimethylpyrrolidin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine (CID 80855091) is 6-(3,3-dimethylpyrrolidin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,3-dimethylpyrrolidin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(3,3-dimethylpyrrolidin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine is CCCNc1ncnc(N2CCC(C)(C)C2)c1C(C)C.
What is the InChIKey of 6-(3,3-dimethylpyrrolidin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine?
The InChIKey is KREDWKOMNCFWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-6-8-17-14-13(12(2)3)15(19-11-18-14)20-9-7-16(4,5)10-20/h11-12H,6-10H2,1-5H3,(H,17,18,19).
What are the key properties of 6-(3,3-dimethylpyrrolidin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine?
6-(3,3-dimethylpyrrolidin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine has a molecular weight of 276.43 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-dimethylpyrrolidin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80855091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).