2-chloro-4-methyl-6-(3-propylpyrrolidin-1-yl)pyrimidin-5-amine

C12H19ClN4 — CID 114043962

IUPAC2-chloro-4-methyl-6-(3-propylpyrrolidin-1-yl)pyrimidin-5-amine
SMILESCCCC1CCN(c2nc(Cl)nc(C)c2N)C1
InChIInChI=1S/C12H19ClN4/c1-3-4-9-5-6-17(7-9)11-10(14)8(2)15-12(13)16-11/h9H,3-7,14H2,1-2H3
InChIKeyQRDATWSVLWXQEL-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.65
Rot. Bonds3

About 2-chloro-4-methyl-6-(3-propylpyrrolidin-1-yl)pyrimidin-5-amine

2-chloro-4-methyl-6-(3-propylpyrrolidin-1-yl)pyrimidin-5-amine (PubChem CID 114043962) has the molecular formula C12H19ClN4 and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-chloro-4-methyl-6-(3-propylpyrrolidin-1-yl)pyrimidin-5-amine.

Molecular Properties

Compound Name2-chloro-4-methyl-6-(3-propylpyrrolidin-1-yl)pyrimidin-5-amine
PubChem CID114043962
Molecular FormulaC12H19ClN4
Molecular Weight254.76 g/mol
Exact Mass254.13
IUPAC Name2-chloro-4-methyl-6-(3-propylpyrrolidin-1-yl)pyrimidin-5-amine
SMILESCCCC1CCN(c2nc(Cl)nc(C)c2N)C1
InChIInChI=1S/C12H19ClN4/c1-3-4-9-5-6-17(7-9)11-10(14)8(2)15-12(13)16-11/h9H,3-7,14H2,1-2H3
InChIKeyQRDATWSVLWXQEL-UHFFFAOYSA-N
XLogP2.65
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-4-methyl-6-(3-propylpyrrolidin-1-yl)pyrimidin-5-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

4-(3-tert-butylpyrrolidin-1-yl)-2-chloro-6-methylpyrimidin-5-amine
CID 114043961
2-chloro-4-(4-propylpiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine
CID 62864514
2-chloro-4-(4-propylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidine
CID 114268258
1-(2-chloro-5-ethyl-6-methylpyrimidin-4-yl)piperidin-4-amine
CID 95928585
6-methyl-4-(3-propylpyrrolidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103329876
1-chloro-4-(3-propylpyrrolidin-1-yl)phthalazine
CID 113418390
6-methyl-2-(3-propylpyrrolidin-1-yl)pyridine-3-carboximidamide
CID 113417646
5-chloro-4-fluoro-2-(3-propylpyrrolidin-1-yl)aniline
CID 113416882
5-(bromomethyl)-3-methyl-2-(3-propylpyrrolidin-1-yl)pyridine
CID 107085109
[5-methyl-6-(3-propylpyrrolidin-1-yl)-3-pyridinyl]methanol
CID 113418057
2-tert-butyl-5-methyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine
CID 80984976
4-(bromomethyl)-1,3-dimethyl-5-(3-propylpyrrolidin-1-yl)pyrazole
CID 107085118

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-6-(3-propylpyrrolidin-1-yl)pyrimidin-5-amine?
The IUPAC name of 2-chloro-4-methyl-6-(3-propylpyrrolidin-1-yl)pyrimidin-5-amine (CID 114043962) is 2-chloro-4-methyl-6-(3-propylpyrrolidin-1-yl)pyrimidin-5-amine.
What is the SMILES notation for 2-chloro-4-methyl-6-(3-propylpyrrolidin-1-yl)pyrimidin-5-amine?
The canonical SMILES for 2-chloro-4-methyl-6-(3-propylpyrrolidin-1-yl)pyrimidin-5-amine is CCCC1CCN(c2nc(Cl)nc(C)c2N)C1.
What is the InChIKey of 2-chloro-4-methyl-6-(3-propylpyrrolidin-1-yl)pyrimidin-5-amine?
The InChIKey is QRDATWSVLWXQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4/c1-3-4-9-5-6-17(7-9)11-10(14)8(2)15-12(13)16-11/h9H,3-7,14H2,1-2H3.
What are the key properties of 2-chloro-4-methyl-6-(3-propylpyrrolidin-1-yl)pyrimidin-5-amine?
2-chloro-4-methyl-6-(3-propylpyrrolidin-1-yl)pyrimidin-5-amine has a molecular weight of 254.76 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-6-(3-propylpyrrolidin-1-yl)pyrimidin-5-amine is sourced from PubChem (CID 114043962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).