2-(cyclopentylsulfanylmethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine

C16H27N3S — CID 65140283

IUPAC2-(cyclopentylsulfanylmethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C(C)C)nc(CSC2CCCC2)n1
InChIInChI=1S/C16H27N3S/c1-4-9-17-15-10-14(12(2)3)18-16(19-15)11-20-13-7-5-6-8-13/h10,12-13H,4-9,11H2,1-3H3,(H,17,18,19)
InChIKeySETHBOGPEAUEFA-UHFFFAOYSA-N
MW293.48 g/mol
LogP4.60
Rot. Bonds7

About 2-(cyclopentylsulfanylmethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine

2-(cyclopentylsulfanylmethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine (PubChem CID 65140283) has the molecular formula C16H27N3S and a molecular weight of 293.48 g/mol. Its IUPAC name is 2-(cyclopentylsulfanylmethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(cyclopentylsulfanylmethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
PubChem CID65140283
Molecular FormulaC16H27N3S
Molecular Weight293.48 g/mol
Exact Mass293.19
IUPAC Name2-(cyclopentylsulfanylmethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C(C)C)nc(CSC2CCCC2)n1
InChIInChI=1S/C16H27N3S/c1-4-9-17-15-10-14(12(2)3)18-16(19-15)11-20-13-7-5-6-8-13/h10,12-13H,4-9,11H2,1-3H3,(H,17,18,19)
InChIKeySETHBOGPEAUEFA-UHFFFAOYSA-N
XLogP4.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclohexylsulfanylmethyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 65144459
2-(tert-butylsulfanylmethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 65138244
4-chloro-2-(cyclohexylsulfanylmethyl)-6-propan-2-ylpyrimidine
CID 65139776
2-(methoxymethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 62190414
2-(cyclohexylsulfanylmethyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 65144656
2-(2-methylcyclopropyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 65419575
2-benzyl-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 63485421
2-[(4-methylphenyl)methyl]-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 63485245
2-(4-ethylcyclohexyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 65391131
3-(cyclopentylsulfanylmethyl)-N-propyl-1,2,4-oxadiazol-5-amine
CID 65140538
2-(phenoxymethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 62716221
2-[(2-fluorophenyl)methyl]-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 63485417

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylsulfanylmethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(cyclopentylsulfanylmethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine (CID 65140283) is 2-(cyclopentylsulfanylmethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(cyclopentylsulfanylmethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(cyclopentylsulfanylmethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine is CCCNc1cc(C(C)C)nc(CSC2CCCC2)n1.
What is the InChIKey of 2-(cyclopentylsulfanylmethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
The InChIKey is SETHBOGPEAUEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3S/c1-4-9-17-15-10-14(12(2)3)18-16(19-15)11-20-13-7-5-6-8-13/h10,12-13H,4-9,11H2,1-3H3,(H,17,18,19).
What are the key properties of 2-(cyclopentylsulfanylmethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
2-(cyclopentylsulfanylmethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine has a molecular weight of 293.48 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylsulfanylmethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 65140283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).