5-bromo-2-(cyclopentylsulfanylmethyl)-6-phenylpyrimidin-4-amine

C16H18BrN3S — CID 66293704

IUPAC5-bromo-2-(cyclopentylsulfanylmethyl)-6-phenylpyrimidin-4-amine
SMILESNc1nc(CSC2CCCC2)nc(-c2ccccc2)c1Br
InChIInChI=1S/C16H18BrN3S/c17-14-15(11-6-2-1-3-7-11)19-13(20-16(14)18)10-21-12-8-4-5-9-12/h1-3,6-7,12H,4-5,8-10H2,(H2,18,19,20)
InChIKeyKJZYAMCFXMWBEO-UHFFFAOYSA-N
MW364.31 g/mol
LogP4.66
Rot. Bonds4

About 5-bromo-2-(cyclopentylsulfanylmethyl)-6-phenylpyrimidin-4-amine

5-bromo-2-(cyclopentylsulfanylmethyl)-6-phenylpyrimidin-4-amine (PubChem CID 66293704) has the molecular formula C16H18BrN3S and a molecular weight of 364.31 g/mol. Its IUPAC name is 5-bromo-2-(cyclopentylsulfanylmethyl)-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(cyclopentylsulfanylmethyl)-6-phenylpyrimidin-4-amine
PubChem CID66293704
Molecular FormulaC16H18BrN3S
Molecular Weight364.31 g/mol
Exact Mass363.04
IUPAC Name5-bromo-2-(cyclopentylsulfanylmethyl)-6-phenylpyrimidin-4-amine
SMILESNc1nc(CSC2CCCC2)nc(-c2ccccc2)c1Br
InChIInChI=1S/C16H18BrN3S/c17-14-15(11-6-2-1-3-7-11)19-13(20-16(14)18)10-21-12-8-4-5-9-12/h1-3,6-7,12H,4-5,8-10H2,(H2,18,19,20)
InChIKeyKJZYAMCFXMWBEO-UHFFFAOYSA-N
XLogP4.66
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.31
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(3-methoxypropyl)-6-phenylpyrimidin-4-amine
CID 66294302
6-tert-butyl-2-(cyclohexylsulfanylmethyl)-5-iodopyrimidin-4-amine
CID 66305037
2-(cyclohexylsulfanylmethyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 66299542
5-iodo-6-phenyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine
CID 66294126
2-(cyclohexylsulfanylmethyl)-6-cyclopropylpyrimidin-4-amine
CID 65144022
4-(3-bromophenyl)-2-(cyclohexylsulfanylmethyl)-5-methyl-1,3-thiazole
CID 79831350
2-(cyclopentylsulfanylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 60707023
2-(cyclohexylsulfanylmethyl)pyrimidin-5-amine
CID 65139971
5-bromo-4-chloro-2-(cyclopentylsulfanylmethyl)-6-ethylpyrimidine
CID 66294627
3-(cyclopentylsulfanylmethyl)pyridin-2-amine
CID 63115867
(R)-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898673
4-(2-bromophenyl)-2-(cyclopentylsulfanylmethyl)-5-methyl-1,3-thiazole
CID 79839949

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(cyclopentylsulfanylmethyl)-6-phenylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(cyclopentylsulfanylmethyl)-6-phenylpyrimidin-4-amine (CID 66293704) is 5-bromo-2-(cyclopentylsulfanylmethyl)-6-phenylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(cyclopentylsulfanylmethyl)-6-phenylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(cyclopentylsulfanylmethyl)-6-phenylpyrimidin-4-amine is Nc1nc(CSC2CCCC2)nc(-c2ccccc2)c1Br.
What is the InChIKey of 5-bromo-2-(cyclopentylsulfanylmethyl)-6-phenylpyrimidin-4-amine?
The InChIKey is KJZYAMCFXMWBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3S/c17-14-15(11-6-2-1-3-7-11)19-13(20-16(14)18)10-21-12-8-4-5-9-12/h1-3,6-7,12H,4-5,8-10H2,(H2,18,19,20).
What are the key properties of 5-bromo-2-(cyclopentylsulfanylmethyl)-6-phenylpyrimidin-4-amine?
5-bromo-2-(cyclopentylsulfanylmethyl)-6-phenylpyrimidin-4-amine has a molecular weight of 364.31 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(cyclopentylsulfanylmethyl)-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 66293704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).