4,6-diamino-2-chloropyrimidine-5-carbonitrile

C5H4ClN5 — CID 10986685

IUPAC4,6-diamino-2-chloropyrimidine-5-carbonitrile
SMILESN#Cc1c(N)nc(Cl)nc1N
InChIInChI=1S/C5H4ClN5/c6-5-10-3(8)2(1-7)4(9)11-5/h(H4,8,9,10,11)
InChIKeySSBDGGIFOJKRTP-UHFFFAOYSA-N
MW169.58 g/mol
LogP0.17
Rot. Bonds

About 4,6-diamino-2-chloropyrimidine-5-carbonitrile

4,6-diamino-2-chloropyrimidine-5-carbonitrile (PubChem CID 10986685) has the molecular formula C5H4ClN5 and a molecular weight of 169.58 g/mol. Its IUPAC name is 4,6-diamino-2-chloropyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4,6-diamino-2-chloropyrimidine-5-carbonitrile
PubChem CID10986685
Molecular FormulaC5H4ClN5
Molecular Weight169.58 g/mol
Exact Mass169.02
IUPAC Name4,6-diamino-2-chloropyrimidine-5-carbonitrile
SMILESN#Cc1c(N)nc(Cl)nc1N
InChIInChI=1S/C5H4ClN5/c6-5-10-3(8)2(1-7)4(9)11-5/h(H4,8,9,10,11)
InChIKeySSBDGGIFOJKRTP-UHFFFAOYSA-N
XLogP0.17
TPSA101.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.58
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-Amino-6-chloropyrimidine-5-carbonitrile
CID 12278262
2,4,6-Triaminopyrimidine-5-carbonitrile
CID 46835388
5-Chloropyrimidine-2,4,6-triamine
CID 345635
2-[6-Chloro-5-cyano-2-(dimethylamino)pyrimidin-4-yl]-1,1-dimethylguanidine
CID 15828716
4-Amino-6-chloro-2-(methylthio)-5-pyrimidinecarbonitrile
CID 4093159
2-Chloro-5-methyl-4,6-pyrimidinediamine
CID 12258864
2,4-Diamino-6-chloropyrimidine-5-carbonitrile
CID 86708021
2-Amino-4-chloro-6-(methylamino)pyrimidine-5-carbonitrile
CID 129930588
2,4,6-Triazidopyrimidine-5-carbonitrile
CID 139599916
5-Methylpyrimidine-2,4,6-triamine
CID 3018257
6-Fluoro-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 20403024
2-Fluoro-5-(trifluoromethyl)pyrimidine-4,6-diamine
CID 20403028

Frequently Asked Questions

What is the IUPAC name of 4,6-diamino-2-chloropyrimidine-5-carbonitrile?
The IUPAC name of 4,6-diamino-2-chloropyrimidine-5-carbonitrile (CID 10986685) is 4,6-diamino-2-chloropyrimidine-5-carbonitrile.
What is the SMILES notation for 4,6-diamino-2-chloropyrimidine-5-carbonitrile?
The canonical SMILES for 4,6-diamino-2-chloropyrimidine-5-carbonitrile is N#Cc1c(N)nc(Cl)nc1N.
What is the InChIKey of 4,6-diamino-2-chloropyrimidine-5-carbonitrile?
The InChIKey is SSBDGGIFOJKRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClN5/c6-5-10-3(8)2(1-7)4(9)11-5/h(H4,8,9,10,11).
What are the key properties of 4,6-diamino-2-chloropyrimidine-5-carbonitrile?
4,6-diamino-2-chloropyrimidine-5-carbonitrile has a molecular weight of 169.58 g/mol, XLogP of 0.17, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diamino-2-chloropyrimidine-5-carbonitrile is sourced from PubChem (CID 10986685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).