6-chloro-5-N-(cyclopropylmethyl)pyrimidine-4,5-diamine

C8H11ClN4 — CID 99983249

IUPAC6-chloro-5-N-(cyclopropylmethyl)pyrimidine-4,5-diamine
SMILESNc1ncnc(Cl)c1NCC1CC1
InChIInChI=1S/C8H11ClN4/c9-7-6(8(10)13-4-12-7)11-3-5-1-2-5/h4-5,11H,1-3H2,(H2,10,12,13)
InChIKeyUQRLZFFZZFMLMI-UHFFFAOYSA-N
MW198.66 g/mol
LogP1.53
Rot. Bonds3

About 6-chloro-5-N-(cyclopropylmethyl)pyrimidine-4,5-diamine

6-chloro-5-N-(cyclopropylmethyl)pyrimidine-4,5-diamine (PubChem CID 99983249) has the molecular formula C8H11ClN4 and a molecular weight of 198.66 g/mol. Its IUPAC name is 6-chloro-5-N-(cyclopropylmethyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-5-N-(cyclopropylmethyl)pyrimidine-4,5-diamine
PubChem CID99983249
Molecular FormulaC8H11ClN4
Molecular Weight198.66 g/mol
Exact Mass198.07
IUPAC Name6-chloro-5-N-(cyclopropylmethyl)pyrimidine-4,5-diamine
SMILESNc1ncnc(Cl)c1NCC1CC1
InChIInChI=1S/C8H11ClN4/c9-7-6(8(10)13-4-12-7)11-3-5-1-2-5/h4-5,11H,1-3H2,(H2,10,12,13)
InChIKeyUQRLZFFZZFMLMI-UHFFFAOYSA-N
XLogP1.53
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.66
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-chloro-5-N-(cyclopropylmethyl)pyrimidine-4,5-diamine 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-5-N-prop-2-enylpyrimidine-4,5-diamine
CID 11600794
2,6-dichloro-N-(cyclopropylmethyl)aniline
CID 13174436
N-(cyclopropylmethyl)-4-methyl-1,3,5-triazin-2-amine
CID 91169316
2-chloro-N-(cyclopropylmethyl)pyridin-3-amine
CID 43690086
4-chloro-2-N-(cyclopropylmethyl)benzene-1,2-diamine
CID 115468475
4-chloro-N-(cyclopropylmethyl)pyrimidin-2-amine
CID 58495643
6-chloro-5-cyclobutylpyrimidin-4-amine
CID 91618704
2-chloro-4-methyl-N-(piperidin-4-ylmethyl)pyridin-3-amine
CID 79708209
3-[[(5-bromo-6-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 106137194
5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine
CID 114049775
2-N-(oxan-4-ylmethyl)pyrimidine-2,5-diamine
CID 63726292
2-N-(cyclopentylmethyl)-1,3,5-triazine-2,4-diamine
CID 126972390

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-N-(cyclopropylmethyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-5-N-(cyclopropylmethyl)pyrimidine-4,5-diamine (CID 99983249) is 6-chloro-5-N-(cyclopropylmethyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-5-N-(cyclopropylmethyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-5-N-(cyclopropylmethyl)pyrimidine-4,5-diamine is Nc1ncnc(Cl)c1NCC1CC1.
What is the InChIKey of 6-chloro-5-N-(cyclopropylmethyl)pyrimidine-4,5-diamine?
The InChIKey is UQRLZFFZZFMLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4/c9-7-6(8(10)13-4-12-7)11-3-5-1-2-5/h4-5,11H,1-3H2,(H2,10,12,13).
What are the key properties of 6-chloro-5-N-(cyclopropylmethyl)pyrimidine-4,5-diamine?
6-chloro-5-N-(cyclopropylmethyl)pyrimidine-4,5-diamine has a molecular weight of 198.66 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-N-(cyclopropylmethyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 99983249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).