2-(butan-2-ylsulfanylmethyl)-4-chloro-6-cyclopropylpyrimidine

C12H17ClN2S — CID 65136158

IUPAC2-(butan-2-ylsulfanylmethyl)-4-chloro-6-cyclopropylpyrimidine
SMILESCCC(C)SCc1nc(Cl)cc(C2CC2)n1
InChIInChI=1S/C12H17ClN2S/c1-3-8(2)16-7-12-14-10(9-4-5-9)6-11(13)15-12/h6,8-9H,3-5,7H2,1-2H3
InChIKeyPQRZRIFRTMWBKO-UHFFFAOYSA-N
MW256.80 g/mol
LogP4.04
Rot. Bonds5

About 2-(butan-2-ylsulfanylmethyl)-4-chloro-6-cyclopropylpyrimidine

2-(butan-2-ylsulfanylmethyl)-4-chloro-6-cyclopropylpyrimidine (PubChem CID 65136158) has the molecular formula C12H17ClN2S and a molecular weight of 256.80 g/mol. Its IUPAC name is 2-(butan-2-ylsulfanylmethyl)-4-chloro-6-cyclopropylpyrimidine.

Molecular Properties

Compound Name2-(butan-2-ylsulfanylmethyl)-4-chloro-6-cyclopropylpyrimidine
PubChem CID65136158
Molecular FormulaC12H17ClN2S
Molecular Weight256.80 g/mol
Exact Mass256.08
IUPAC Name2-(butan-2-ylsulfanylmethyl)-4-chloro-6-cyclopropylpyrimidine
SMILESCCC(C)SCc1nc(Cl)cc(C2CC2)n1
InChIInChI=1S/C12H17ClN2S/c1-3-8(2)16-7-12-14-10(9-4-5-9)6-11(13)15-12/h6,8-9H,3-5,7H2,1-2H3
InChIKeyPQRZRIFRTMWBKO-UHFFFAOYSA-N
XLogP4.04
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.80
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-Dichloro-6-(propan-2-yl)pyrimidine
CID 246012
2,4-Di-tert-butyl-6-chloropyrimidine
CID 11368138
4-Chloro-6-Ethyl-2-Methylpyrimidine
CID 13153403
4-Chloro-6-cyclopropyl-2-pyrimidinamine
CID 21846358
2,4-Dichloro-6-cyclopropylpyrimidine
CID 22309085
4-Chloro-2-methyl-6-(propan-2-yl)pyrimidine
CID 25220467
4-Tert-butyl-6-chloro-2-(propan-2-yl)pyrimidine
CID 43557555
4-Chloro-2,6-bis(propan-2-yl)pyrimidine
CID 43557629
4-Chloro-6-cyclopropyl-2-methylpyrimidine
CID 45788112
4-Chloro-2,6-dicyclopropylpyrimidine
CID 45788167
4-Chloro-6-(2-methylpropyl)pyrimidin-2-amine
CID 87563835
4-Chloro-2-(chloromethyl)-6-(propan-2-yl)pyrimidine
CID 71685901

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylsulfanylmethyl)-4-chloro-6-cyclopropylpyrimidine?
The IUPAC name of 2-(butan-2-ylsulfanylmethyl)-4-chloro-6-cyclopropylpyrimidine (CID 65136158) is 2-(butan-2-ylsulfanylmethyl)-4-chloro-6-cyclopropylpyrimidine.
What is the SMILES notation for 2-(butan-2-ylsulfanylmethyl)-4-chloro-6-cyclopropylpyrimidine?
The canonical SMILES for 2-(butan-2-ylsulfanylmethyl)-4-chloro-6-cyclopropylpyrimidine is CCC(C)SCc1nc(Cl)cc(C2CC2)n1.
What is the InChIKey of 2-(butan-2-ylsulfanylmethyl)-4-chloro-6-cyclopropylpyrimidine?
The InChIKey is PQRZRIFRTMWBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2S/c1-3-8(2)16-7-12-14-10(9-4-5-9)6-11(13)15-12/h6,8-9H,3-5,7H2,1-2H3.
What are the key properties of 2-(butan-2-ylsulfanylmethyl)-4-chloro-6-cyclopropylpyrimidine?
2-(butan-2-ylsulfanylmethyl)-4-chloro-6-cyclopropylpyrimidine has a molecular weight of 256.80 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylsulfanylmethyl)-4-chloro-6-cyclopropylpyrimidine is sourced from PubChem (CID 65136158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).