5-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)-N-propylpyrimidin-2-amine

C13H21ClN4O2 — CID 103542000

IUPAC5-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(Cl)c(N2CC(OC)C(OC)C2)n1
InChIInChI=1S/C13H21ClN4O2/c1-4-5-15-13-16-6-9(14)12(17-13)18-7-10(19-2)11(8-18)20-3/h6,10-11H,4-5,7-8H2,1-3H3,(H,15,16,17)
InChIKeyFZBRNRGTTVRQKA-UHFFFAOYSA-N
MW300.79 g/mol
LogP1.80
Rot. Bonds6

About 5-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)-N-propylpyrimidin-2-amine

5-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)-N-propylpyrimidin-2-amine (PubChem CID 103542000) has the molecular formula C13H21ClN4O2 and a molecular weight of 300.79 g/mol. Its IUPAC name is 5-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)-N-propylpyrimidin-2-amine
PubChem CID103542000
Molecular FormulaC13H21ClN4O2
Molecular Weight300.79 g/mol
Exact Mass300.14
IUPAC Name5-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(Cl)c(N2CC(OC)C(OC)C2)n1
InChIInChI=1S/C13H21ClN4O2/c1-4-5-15-13-16-6-9(14)12(17-13)18-7-10(19-2)11(8-18)20-3/h6,10-11H,4-5,7-8H2,1-3H3,(H,15,16,17)
InChIKeyFZBRNRGTTVRQKA-UHFFFAOYSA-N
XLogP1.80
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)-N-propylpyrimidin-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

Related Compounds

5-chloro-4-(3,4-dimethylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine
CID 80848714
5-chloro-4-(4-methoxypiperidin-1-yl)-N-propylpyrimidin-2-amine
CID 80782441
5-chloro-4-piperidin-1-yl-N-propylpyrimidin-2-amine
CID 80764211
5-chloro-4-(3-methylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine
CID 80797839
5-chloro-4-(3-ethyl-4-methylpiperazin-1-yl)-N-propylpyrimidin-2-amine
CID 80833787
5-chloro-N-propyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-2-amine
CID 102746619
[4-[5-chloro-2-(propylamino)pyrimidin-4-yl]morpholin-2-yl]methanol
CID 81217444
5-chloro-4-(4-propan-2-ylazepan-1-yl)-N-propylpyrimidin-2-amine
CID 80823869
1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-4-carboxamide
CID 80779212
5-chloro-4-(2,6-dimethylmorpholin-4-yl)-N-ethylpyrimidin-2-amine
CID 80764781
5-chloro-4-(2-ethylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine
CID 80797010
1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 80832257

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)-N-propylpyrimidin-2-amine?
The IUPAC name of 5-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)-N-propylpyrimidin-2-amine (CID 103542000) is 5-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)-N-propylpyrimidin-2-amine is CCCNc1ncc(Cl)c(N2CC(OC)C(OC)C2)n1.
What is the InChIKey of 5-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)-N-propylpyrimidin-2-amine?
The InChIKey is FZBRNRGTTVRQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O2/c1-4-5-15-13-16-6-9(14)12(17-13)18-7-10(19-2)11(8-18)20-3/h6,10-11H,4-5,7-8H2,1-3H3,(H,15,16,17).
What are the key properties of 5-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)-N-propylpyrimidin-2-amine?
5-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)-N-propylpyrimidin-2-amine has a molecular weight of 300.79 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)-N-propylpyrimidin-2-amine is sourced from PubChem (CID 103542000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).