N-[[1-(dimethylamino)cyclopentyl]methyl]-6-methylsulfanylpyrimidin-4-amine

C13H22N4S — CID 106972972

IUPACN-[[1-(dimethylamino)cyclopentyl]methyl]-6-methylsulfanylpyrimidin-4-amine
SMILESCSc1cc(NCC2(N(C)C)CCCC2)ncn1
InChIInChI=1S/C13H22N4S/c1-17(2)13(6-4-5-7-13)9-14-11-8-12(18-3)16-10-15-11/h8,10H,4-7,9H2,1-3H3,(H,14,15,16)
InChIKeyWGRKDWQZBHKMQS-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.48
Rot. Bonds5

About N-[[1-(dimethylamino)cyclopentyl]methyl]-6-methylsulfanylpyrimidin-4-amine

N-[[1-(dimethylamino)cyclopentyl]methyl]-6-methylsulfanylpyrimidin-4-amine (PubChem CID 106972972) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclopentyl]methyl]-6-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclopentyl]methyl]-6-methylsulfanylpyrimidin-4-amine
PubChem CID106972972
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC NameN-[[1-(dimethylamino)cyclopentyl]methyl]-6-methylsulfanylpyrimidin-4-amine
SMILESCSc1cc(NCC2(N(C)C)CCCC2)ncn1
InChIInChI=1S/C13H22N4S/c1-17(2)13(6-4-5-7-13)9-14-11-8-12(18-3)16-10-15-11/h8,10H,4-7,9H2,1-3H3,(H,14,15,16)
InChIKeyWGRKDWQZBHKMQS-UHFFFAOYSA-N
XLogP2.48
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-6-methylsulfanylpyrimidin-4-amine?
The IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-6-methylsulfanylpyrimidin-4-amine (CID 106972972) is N-[[1-(dimethylamino)cyclopentyl]methyl]-6-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N-[[1-(dimethylamino)cyclopentyl]methyl]-6-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for N-[[1-(dimethylamino)cyclopentyl]methyl]-6-methylsulfanylpyrimidin-4-amine is CSc1cc(NCC2(N(C)C)CCCC2)ncn1.
What is the InChIKey of N-[[1-(dimethylamino)cyclopentyl]methyl]-6-methylsulfanylpyrimidin-4-amine?
The InChIKey is WGRKDWQZBHKMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c1-17(2)13(6-4-5-7-13)9-14-11-8-12(18-3)16-10-15-11/h8,10H,4-7,9H2,1-3H3,(H,14,15,16).
What are the key properties of N-[[1-(dimethylamino)cyclopentyl]methyl]-6-methylsulfanylpyrimidin-4-amine?
N-[[1-(dimethylamino)cyclopentyl]methyl]-6-methylsulfanylpyrimidin-4-amine has a molecular weight of 266.41 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclopentyl]methyl]-6-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 106972972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).