6-chloropyrimidine-2,4,5-triamine

C4H6ClN5 — CID 500505

IUPAC6-chloropyrimidine-2,4,5-triamine
SMILESNc1nc(N)c(N)c(Cl)n1
InChIInChI=1S/C4H6ClN5/c5-2-1(6)3(7)10-4(8)9-2/h6H2,(H4,7,8,9,10)
InChIKeyBMCHNFZLERXZBI-UHFFFAOYSA-N
MW159.58 g/mol
LogP-0.12
Rot. Bonds

About 6-chloropyrimidine-2,4,5-triamine

6-chloropyrimidine-2,4,5-triamine (PubChem CID 500505) has the molecular formula C4H6ClN5 and a molecular weight of 159.58 g/mol. Its IUPAC name is 6-chloropyrimidine-2,4,5-triamine.

Molecular Properties

Compound Name6-chloropyrimidine-2,4,5-triamine
PubChem CID500505
Molecular FormulaC4H6ClN5
Molecular Weight159.58 g/mol
Exact Mass159.03
IUPAC Name6-chloropyrimidine-2,4,5-triamine
SMILESNc1nc(N)c(N)c(Cl)n1
InChIInChI=1S/C4H6ClN5/c5-2-1(6)3(7)10-4(8)9-2/h6H2,(H4,7,8,9,10)
InChIKeyBMCHNFZLERXZBI-UHFFFAOYSA-N
XLogP-0.12
TPSA103.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.58
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

tetra-Aminopyrimidine
CID 70487
4,6-Dichloro-2-methylpyrimidin-5-amine
CID 736674
4,5-Pyrimidinediamine, 6-chloro-
CID 78010
2,5-Diamino-4,6-dichloropyrimidine
CID 301039
5-Amino-4,6-dichloropyrimidine
CID 79434
6-chloro-N4-methylpyrimidine-4,5-diamine
CID 308477
6-Chloro-N4,N4-dimethylpyrimidine-4,5-diamine
CID 768955
Pyrimidine, 2,4,5,6-tetraamine, dihydrochloride
CID 12365029
4,6-Dichloro-2-(trifluoromethyl)pyrimidin-5-amine
CID 244865
4,6-Dichloro-2-(methylsulfanyl)pyrimidin-5-amine
CID 57742486
2,4,5,6-Tetraaminopyrimidine hydrochloride
CID 20477346
4,5-Diamino-2,6-dichloropyrimidine
CID 240043

Frequently Asked Questions

What is the IUPAC name of 6-chloropyrimidine-2,4,5-triamine?
The IUPAC name of 6-chloropyrimidine-2,4,5-triamine (CID 500505) is 6-chloropyrimidine-2,4,5-triamine.
What is the SMILES notation for 6-chloropyrimidine-2,4,5-triamine?
The canonical SMILES for 6-chloropyrimidine-2,4,5-triamine is Nc1nc(N)c(N)c(Cl)n1.
What is the InChIKey of 6-chloropyrimidine-2,4,5-triamine?
The InChIKey is BMCHNFZLERXZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClN5/c5-2-1(6)3(7)10-4(8)9-2/h6H2,(H4,7,8,9,10).
What are the key properties of 6-chloropyrimidine-2,4,5-triamine?
6-chloropyrimidine-2,4,5-triamine has a molecular weight of 159.58 g/mol, XLogP of -0.12, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloropyrimidine-2,4,5-triamine is sourced from PubChem (CID 500505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).