6-cyclopentylsulfanyl-4-N-methylpyrimidine-2,4-diamine

C10H16N4S — CID 80888990

IUPAC6-cyclopentylsulfanyl-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1cc(SC2CCCC2)nc(N)n1
InChIInChI=1S/C10H16N4S/c1-12-8-6-9(14-10(11)13-8)15-7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H3,11,12,13,14)
InChIKeyCONOGCHPMRJXHX-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.14
Rot. Bonds3

About 6-cyclopentylsulfanyl-4-N-methylpyrimidine-2,4-diamine

6-cyclopentylsulfanyl-4-N-methylpyrimidine-2,4-diamine (PubChem CID 80888990) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is 6-cyclopentylsulfanyl-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-cyclopentylsulfanyl-4-N-methylpyrimidine-2,4-diamine
PubChem CID80888990
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC Name6-cyclopentylsulfanyl-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1cc(SC2CCCC2)nc(N)n1
InChIInChI=1S/C10H16N4S/c1-12-8-6-9(14-10(11)13-8)15-7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H3,11,12,13,14)
InChIKeyCONOGCHPMRJXHX-UHFFFAOYSA-N
XLogP2.14
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopentylsulfanyl-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 6-cyclopentylsulfanyl-4-N-methylpyrimidine-2,4-diamine (CID 80888990) is 6-cyclopentylsulfanyl-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-cyclopentylsulfanyl-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 6-cyclopentylsulfanyl-4-N-methylpyrimidine-2,4-diamine is CNc1cc(SC2CCCC2)nc(N)n1.
What is the InChIKey of 6-cyclopentylsulfanyl-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is CONOGCHPMRJXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S/c1-12-8-6-9(14-10(11)13-8)15-7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H3,11,12,13,14).
What are the key properties of 6-cyclopentylsulfanyl-4-N-methylpyrimidine-2,4-diamine?
6-cyclopentylsulfanyl-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 224.33 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentylsulfanyl-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80888990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).