5-chloro-4-N-[(1-methylsulfanylcyclopentyl)methyl]pyrimidine-4,6-diamine

C11H17ClN4S — CID 114117730

IUPAC5-chloro-4-N-[(1-methylsulfanylcyclopentyl)methyl]pyrimidine-4,6-diamine
SMILESCSC1(CNc2ncnc(N)c2Cl)CCCC1
InChIInChI=1S/C11H17ClN4S/c1-17-11(4-2-3-5-11)6-14-10-8(12)9(13)15-7-16-10/h7H,2-6H2,1H3,(H3,13,14,15,16)
InChIKeyZHMIDRFXCVIULD-UHFFFAOYSA-N
MW272.80 g/mol
LogP2.80
Rot. Bonds4

About 5-chloro-4-N-[(1-methylsulfanylcyclopentyl)methyl]pyrimidine-4,6-diamine

5-chloro-4-N-[(1-methylsulfanylcyclopentyl)methyl]pyrimidine-4,6-diamine (PubChem CID 114117730) has the molecular formula C11H17ClN4S and a molecular weight of 272.80 g/mol. Its IUPAC name is 5-chloro-4-N-[(1-methylsulfanylcyclopentyl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-chloro-4-N-[(1-methylsulfanylcyclopentyl)methyl]pyrimidine-4,6-diamine
PubChem CID114117730
Molecular FormulaC11H17ClN4S
Molecular Weight272.80 g/mol
Exact Mass272.09
IUPAC Name5-chloro-4-N-[(1-methylsulfanylcyclopentyl)methyl]pyrimidine-4,6-diamine
SMILESCSC1(CNc2ncnc(N)c2Cl)CCCC1
InChIInChI=1S/C11H17ClN4S/c1-17-11(4-2-3-5-11)6-14-10-8(12)9(13)15-7-16-10/h7H,2-6H2,1H3,(H3,13,14,15,16)
InChIKeyZHMIDRFXCVIULD-UHFFFAOYSA-N
XLogP2.80
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.80
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-N-[(1-ethylcyclopentyl)methyl]pyrimidine-4,6-diamine
CID 106812270
5-chloro-4-N-[(1-methylcyclopropyl)methyl]pyrimidine-4,6-diamine
CID 106812191
5-chloro-4-N-[(1-methoxycyclobutyl)methyl]pyrimidine-4,6-diamine
CID 106812371
5-chloro-4-N-(2,2-dimethylpropyl)pyrimidine-4,6-diamine
CID 106811895
3-[[(6-amino-5-chloropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
CID 114143769
6-ethoxy-5-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]pyrimidin-4-amine
CID 114116966
6-N-methyl-4-N-[(1-methylsulfanylcyclobutyl)methyl]-5-nitropyrimidine-4,6-diamine
CID 107268707
5-chloro-4-N-[[(2S)-5,5-dimethyloxolan-2-yl]methyl]pyrimidine-4,6-diamine
CID 129320709
(2R)-1-[(6-amino-5-chloropyrimidin-4-yl)amino]propan-2-ol
CID 130619296
5-chloro-4-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine
CID 106811696
3,5-difluoro-N-[(1-methylsulfanylcyclohexyl)methyl]pyridin-2-amine
CID 114117150
N-[(1-methylsulfanylcyclopropyl)methyl]-7H-purin-6-amine
CID 107269112

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-[(1-methylsulfanylcyclopentyl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 5-chloro-4-N-[(1-methylsulfanylcyclopentyl)methyl]pyrimidine-4,6-diamine (CID 114117730) is 5-chloro-4-N-[(1-methylsulfanylcyclopentyl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 5-chloro-4-N-[(1-methylsulfanylcyclopentyl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 5-chloro-4-N-[(1-methylsulfanylcyclopentyl)methyl]pyrimidine-4,6-diamine is CSC1(CNc2ncnc(N)c2Cl)CCCC1.
What is the InChIKey of 5-chloro-4-N-[(1-methylsulfanylcyclopentyl)methyl]pyrimidine-4,6-diamine?
The InChIKey is ZHMIDRFXCVIULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4S/c1-17-11(4-2-3-5-11)6-14-10-8(12)9(13)15-7-16-10/h7H,2-6H2,1H3,(H3,13,14,15,16).
What are the key properties of 5-chloro-4-N-[(1-methylsulfanylcyclopentyl)methyl]pyrimidine-4,6-diamine?
5-chloro-4-N-[(1-methylsulfanylcyclopentyl)methyl]pyrimidine-4,6-diamine has a molecular weight of 272.80 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-[(1-methylsulfanylcyclopentyl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 114117730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).