6-(cyclopentylmethylsulfanyl)-N-methyl-5-propan-2-ylpyrimidin-4-amine

C14H23N3S — CID 80889774

IUPAC6-(cyclopentylmethylsulfanyl)-N-methyl-5-propan-2-ylpyrimidin-4-amine
SMILESCNc1ncnc(SCC2CCCC2)c1C(C)C
InChIInChI=1S/C14H23N3S/c1-10(2)12-13(15-3)16-9-17-14(12)18-8-11-6-4-5-7-11/h9-11H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyBXAQUNUYSNNDPH-UHFFFAOYSA-N
MW265.43 g/mol
LogP3.92
Rot. Bonds5

About 6-(cyclopentylmethylsulfanyl)-N-methyl-5-propan-2-ylpyrimidin-4-amine

6-(cyclopentylmethylsulfanyl)-N-methyl-5-propan-2-ylpyrimidin-4-amine (PubChem CID 80889774) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 6-(cyclopentylmethylsulfanyl)-N-methyl-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(cyclopentylmethylsulfanyl)-N-methyl-5-propan-2-ylpyrimidin-4-amine
PubChem CID80889774
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name6-(cyclopentylmethylsulfanyl)-N-methyl-5-propan-2-ylpyrimidin-4-amine
SMILESCNc1ncnc(SCC2CCCC2)c1C(C)C
InChIInChI=1S/C14H23N3S/c1-10(2)12-13(15-3)16-9-17-14(12)18-8-11-6-4-5-7-11/h9-11H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyBXAQUNUYSNNDPH-UHFFFAOYSA-N
XLogP3.92
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(cyclopentylmethylsulfanyl)-5-propylpyrimidin-4-yl]hydrazine
CID 80928958
2-(hydroxymethyl)-2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propane-1,3-diol
CID 107855651
N-methyl-6-(1,3-oxazol-2-ylsulfanyl)-5-propan-2-ylpyrimidin-4-amine
CID 106928279
N-methyl-5-propan-2-yl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine
CID 80894891
N-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine
CID 80892659
6-N-methyl-4-N-(4-methylcyclohexyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80772693
[3-methyl-1-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]cyclohexyl]methanol
CID 80803951
N-methyl-5-propan-2-yl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
CID 80888546
6-N-methyl-4-N-(3-methylpentan-3-yl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 106332068
N,N-dimethyl-5-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine
CID 80882839
4-N,6-N-dimethyl-4-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80796274
6-N-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80838517

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopentylmethylsulfanyl)-N-methyl-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(cyclopentylmethylsulfanyl)-N-methyl-5-propan-2-ylpyrimidin-4-amine (CID 80889774) is 6-(cyclopentylmethylsulfanyl)-N-methyl-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(cyclopentylmethylsulfanyl)-N-methyl-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(cyclopentylmethylsulfanyl)-N-methyl-5-propan-2-ylpyrimidin-4-amine is CNc1ncnc(SCC2CCCC2)c1C(C)C.
What is the InChIKey of 6-(cyclopentylmethylsulfanyl)-N-methyl-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is BXAQUNUYSNNDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-10(2)12-13(15-3)16-9-17-14(12)18-8-11-6-4-5-7-11/h9-11H,4-8H2,1-3H3,(H,15,16,17).
What are the key properties of 6-(cyclopentylmethylsulfanyl)-N-methyl-5-propan-2-ylpyrimidin-4-amine?
6-(cyclopentylmethylsulfanyl)-N-methyl-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 265.43 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopentylmethylsulfanyl)-N-methyl-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80889774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).