6-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methyl-2-propylpyrimidin-4-amine

C15H25ClN4 — CID 80970244

IUPAC6-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(NCC2CCN(CC)C2)n1
InChIInChI=1S/C15H25ClN4/c1-4-6-13-18-14(16)11(3)15(19-13)17-9-12-7-8-20(5-2)10-12/h12H,4-10H2,1-3H3,(H,17,18,19)
InChIKeyXXRTWAXXMVYUNY-UHFFFAOYSA-N
MW296.85 g/mol
LogP3.14
Rot. Bonds6

About 6-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methyl-2-propylpyrimidin-4-amine

6-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methyl-2-propylpyrimidin-4-amine (PubChem CID 80970244) has the molecular formula C15H25ClN4 and a molecular weight of 296.85 g/mol. Its IUPAC name is 6-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methyl-2-propylpyrimidin-4-amine
PubChem CID80970244
Molecular FormulaC15H25ClN4
Molecular Weight296.85 g/mol
Exact Mass296.18
IUPAC Name6-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(NCC2CCN(CC)C2)n1
InChIInChI=1S/C15H25ClN4/c1-4-6-13-18-14(16)11(3)15(19-13)17-9-12-7-8-20(5-2)10-12/h12H,4-10H2,1-3H3,(H,17,18,19)
InChIKeyXXRTWAXXMVYUNY-UHFFFAOYSA-N
XLogP3.14
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.85
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methyl-2-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-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-2-propylpyrimidin-4-amine
CID 80968303
6-N-ethyl-5-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80987106
3-[[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 114148518
6-chloro-5-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-propylpyrimidin-4-amine
CID 106028323
6-chloro-5-methyl-N-[(4-methylmorpholin-2-yl)methyl]-2-propylpyrimidin-4-amine
CID 80977889
6-chloro-2,5-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine
CID 106192696
6-chloro-5-methyl-2-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine
CID 80978762
6-chloro-2-ethyl-5-methyl-N-[(4-methylcyclohexyl)methyl]pyrimidin-4-amine
CID 80972098
6-chloro-2-ethyl-N-[(4-ethylcyclohexyl)methyl]-5-methylpyrimidin-4-amine
CID 80971890
6-chloro-2-ethyl-5-methyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107414780
2-ethyl-N-[(1-ethylpiperidin-4-yl)methyl]-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 81007566
6-chloro-5-methyl-N-(2-methylcyclopropyl)-2-propylpyrimidin-4-amine
CID 80971739

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methyl-2-propylpyrimidin-4-amine (CID 80970244) is 6-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methyl-2-propylpyrimidin-4-amine is CCCc1nc(Cl)c(C)c(NCC2CCN(CC)C2)n1.
What is the InChIKey of 6-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methyl-2-propylpyrimidin-4-amine?
The InChIKey is XXRTWAXXMVYUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN4/c1-4-6-13-18-14(16)11(3)15(19-13)17-9-12-7-8-20(5-2)10-12/h12H,4-10H2,1-3H3,(H,17,18,19).
What are the key properties of 6-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methyl-2-propylpyrimidin-4-amine?
6-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methyl-2-propylpyrimidin-4-amine has a molecular weight of 296.85 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80970244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).