2-chloro-N-[1-(thiadiazol-4-yl)ethyl]pyrimidin-4-amine

C8H8ClN5S — CID 130987200

IUPAC2-chloro-N-[1-(thiadiazol-4-yl)ethyl]pyrimidin-4-amine
SMILESCC(Nc1ccnc(Cl)n1)c1csnn1
InChIInChI=1S/C8H8ClN5S/c1-5(6-4-15-14-13-6)11-7-2-3-10-8(9)12-7/h2-5H,1H3,(H,10,11,12)
InChIKeyDCGNICNHDUKAJZ-UHFFFAOYSA-N
MW241.71 g/mol
LogP2.15
Rot. Bonds3

About 2-chloro-N-[1-(thiadiazol-4-yl)ethyl]pyrimidin-4-amine

2-chloro-N-[1-(thiadiazol-4-yl)ethyl]pyrimidin-4-amine (PubChem CID 130987200) has the molecular formula C8H8ClN5S and a molecular weight of 241.71 g/mol. Its IUPAC name is 2-chloro-N-[1-(thiadiazol-4-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[1-(thiadiazol-4-yl)ethyl]pyrimidin-4-amine
PubChem CID130987200
Molecular FormulaC8H8ClN5S
Molecular Weight241.71 g/mol
Exact Mass241.02
IUPAC Name2-chloro-N-[1-(thiadiazol-4-yl)ethyl]pyrimidin-4-amine
SMILESCC(Nc1ccnc(Cl)n1)c1csnn1
InChIInChI=1S/C8H8ClN5S/c1-5(6-4-15-14-13-6)11-7-2-3-10-8(9)12-7/h2-5H,1H3,(H,10,11,12)
InChIKeyDCGNICNHDUKAJZ-UHFFFAOYSA-N
XLogP2.15
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.71
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]pyrimidin-4-amine
CID 89400370
2-chloro-N-(3-methylbutan-2-yl)pyrimidin-4-amine
CID 62338504
2-chloro-N-[(2R)-3-methylbutan-2-yl]pyrimidin-4-amine
CID 94405665
N-[1-(4-bromophenyl)ethyl]-2-chloropyrimidin-4-amine
CID 62342465
2-[(2-chloropyrimidin-4-yl)amino]propanamide
CID 62343252
3-bromo-N-[1-(thiadiazol-4-yl)ethyl]pyridin-2-amine
CID 131057699
(3S)-3-N-(2-chloropyrimidin-4-yl)-4-methylpentane-2,3-diamine
CID 130469662
2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrimidin-4-amine
CID 62342085
2-chloro-N-[1-(3-fluorophenyl)ethyl]pyrimidin-4-amine
CID 62342660
methyl (2S)-2-[(2-chloropyrimidin-4-yl)amino]-3-methylbutanoate
CID 129367589
2-[(2-chloropyrimidin-4-yl)amino]butan-1-ol
CID 60726838
(2R)-1-[(2-chloropyrimidin-4-yl)amino]propan-2-ol
CID 94405682

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(thiadiazol-4-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[1-(thiadiazol-4-yl)ethyl]pyrimidin-4-amine (CID 130987200) is 2-chloro-N-[1-(thiadiazol-4-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[1-(thiadiazol-4-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[1-(thiadiazol-4-yl)ethyl]pyrimidin-4-amine is CC(Nc1ccnc(Cl)n1)c1csnn1.
What is the InChIKey of 2-chloro-N-[1-(thiadiazol-4-yl)ethyl]pyrimidin-4-amine?
The InChIKey is DCGNICNHDUKAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN5S/c1-5(6-4-15-14-13-6)11-7-2-3-10-8(9)12-7/h2-5H,1H3,(H,10,11,12).
What are the key properties of 2-chloro-N-[1-(thiadiazol-4-yl)ethyl]pyrimidin-4-amine?
2-chloro-N-[1-(thiadiazol-4-yl)ethyl]pyrimidin-4-amine has a molecular weight of 241.71 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(thiadiazol-4-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 130987200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).