4-chloro-6-pyrrolidin-1-ylpyrimidin-5-amine

C8H11ClN4 — CID 1085196

IUPAC4-chloro-6-pyrrolidin-1-ylpyrimidin-5-amine
SMILESNc1c(Cl)ncnc1N1CCCC1
InChIInChI=1S/C8H11ClN4/c9-7-6(10)8(12-5-11-7)13-3-1-2-4-13/h5H,1-4,10H2
InChIKeyHGBSHFZMWYKLPY-UHFFFAOYSA-N
MW198.66 g/mol
LogP1.31
Rot. Bonds1

About 4-chloro-6-pyrrolidin-1-ylpyrimidin-5-amine

4-chloro-6-pyrrolidin-1-ylpyrimidin-5-amine (PubChem CID 1085196) has the molecular formula C8H11ClN4 and a molecular weight of 198.66 g/mol. Its IUPAC name is 4-chloro-6-pyrrolidin-1-ylpyrimidin-5-amine.

Molecular Properties

Compound Name4-chloro-6-pyrrolidin-1-ylpyrimidin-5-amine
PubChem CID1085196
Molecular FormulaC8H11ClN4
Molecular Weight198.66 g/mol
Exact Mass198.07
IUPAC Name4-chloro-6-pyrrolidin-1-ylpyrimidin-5-amine
SMILESNc1c(Cl)ncnc1N1CCCC1
InChIInChI=1S/C8H11ClN4/c9-7-6(10)8(12-5-11-7)13-3-1-2-4-13/h5H,1-4,10H2
InChIKeyHGBSHFZMWYKLPY-UHFFFAOYSA-N
XLogP1.31
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.66
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-6-pyrrolidin-1-ylpyrimidin-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

4,5-Pyrimidinediamine, 6-chloro-
CID 78010
4-[4-(5-Amino-6-chloro-4-pyrimidinyl)-1-piperazinyl]-6-chloro-5-pyrimidinylamine
CID 714023
4-Chloro-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine
CID 1085197
6-chloro-N4-methylpyrimidine-4,5-diamine
CID 308477
6-Chloro-N4,N4-dimethylpyrimidine-4,5-diamine
CID 768955
6-chloro-4-N-ethylpyrimidine-4,5-diamine
CID 351002
6-chloro-N4-cyclopropylpyrimidine-4,5-diamine
CID 10511720
n4-Butyl-6-chloropyrimidine-4,5-diamine
CID 227571
4-Chloro-6-piperidin-1-yl-pyrimidin-5-ylamine
CID 1081836
N~4~-(3-((5-Amino-6-chloro-4-pyrimidinyl)amino)propyl)-6-chloro-4,5-pyrimidinediamine
CID 374880
6-chloropyrimidine-4,5-di(15N)amine
CID 11040831
6-Chloro-N4-isopropylpyrimidine-4,5-diamine
CID 7147162

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-pyrrolidin-1-ylpyrimidin-5-amine?
The IUPAC name of 4-chloro-6-pyrrolidin-1-ylpyrimidin-5-amine (CID 1085196) is 4-chloro-6-pyrrolidin-1-ylpyrimidin-5-amine.
What is the SMILES notation for 4-chloro-6-pyrrolidin-1-ylpyrimidin-5-amine?
The canonical SMILES for 4-chloro-6-pyrrolidin-1-ylpyrimidin-5-amine is Nc1c(Cl)ncnc1N1CCCC1.
What is the InChIKey of 4-chloro-6-pyrrolidin-1-ylpyrimidin-5-amine?
The InChIKey is HGBSHFZMWYKLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4/c9-7-6(10)8(12-5-11-7)13-3-1-2-4-13/h5H,1-4,10H2.
What are the key properties of 4-chloro-6-pyrrolidin-1-ylpyrimidin-5-amine?
4-chloro-6-pyrrolidin-1-ylpyrimidin-5-amine has a molecular weight of 198.66 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-pyrrolidin-1-ylpyrimidin-5-amine is sourced from PubChem (CID 1085196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).