6-cyclopentylsulfanyl-2-propylpyrimidin-4-amine

C12H19N3S — CID 80946943

IUPAC6-cyclopentylsulfanyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)cc(SC2CCCC2)n1
InChIInChI=1S/C12H19N3S/c1-2-5-11-14-10(13)8-12(15-11)16-9-6-3-4-7-9/h8-9H,2-7H2,1H3,(H2,13,14,15)
InChIKeyZIPRUUHSJQFNHS-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.05
Rot. Bonds4

About 6-cyclopentylsulfanyl-2-propylpyrimidin-4-amine

6-cyclopentylsulfanyl-2-propylpyrimidin-4-amine (PubChem CID 80946943) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 6-cyclopentylsulfanyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopentylsulfanyl-2-propylpyrimidin-4-amine
PubChem CID80946943
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name6-cyclopentylsulfanyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)cc(SC2CCCC2)n1
InChIInChI=1S/C12H19N3S/c1-2-5-11-14-10(13)8-12(15-11)16-9-6-3-4-7-9/h8-9H,2-7H2,1H3,(H2,13,14,15)
InChIKeyZIPRUUHSJQFNHS-UHFFFAOYSA-N
XLogP3.05
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-cyclohexylsulfanyl-2-propylpyrimidine
CID 80946529
6-cyclohexylsulfanyl-N-methyl-2-propylpyrimidin-4-amine
CID 80947316
6-(2-methyloxolan-3-yl)sulfanyl-2-propylpyrimidin-4-amine
CID 107765101
2-propylpyrimidine-4,6-diamine
CID 67304918
4-chloro-6-(3-methylcyclohexyl)sulfanyl-2-propylpyrimidine
CID 80946262
6-pentylsulfanyl-2-propylpyrimidin-4-amine
CID 107765305
6-cyclohexylsulfanyl-N,2-diethylpyrimidin-4-amine
CID 80937260
2-[(6-amino-2-propylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol
CID 102640210
4-N-cyclopropyl-2-propylpyrimidine-4,6-diamine
CID 80945616
4-(cyclopentylsulfanylmethyl)-6-propyl-1,3,5-triazin-2-amine
CID 65140403
6-cyclohexylsulfanylpyrimidin-4-amine
CID 80885379
4-N-(3-cyclopentylpropyl)-2-propylpyrimidine-4,6-diamine
CID 106014934

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentylsulfanyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-cyclopentylsulfanyl-2-propylpyrimidin-4-amine (CID 80946943) is 6-cyclopentylsulfanyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-cyclopentylsulfanyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-cyclopentylsulfanyl-2-propylpyrimidin-4-amine is CCCc1nc(N)cc(SC2CCCC2)n1.
What is the InChIKey of 6-cyclopentylsulfanyl-2-propylpyrimidin-4-amine?
The InChIKey is ZIPRUUHSJQFNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-2-5-11-14-10(13)8-12(15-11)16-9-6-3-4-7-9/h8-9H,2-7H2,1H3,(H2,13,14,15).
What are the key properties of 6-cyclopentylsulfanyl-2-propylpyrimidin-4-amine?
6-cyclopentylsulfanyl-2-propylpyrimidin-4-amine has a molecular weight of 237.37 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentylsulfanyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80946943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).