5-cyclopropyl-2-N-(3-methylsulfanylphenyl)pyrimidine-2,4-diamine

C14H16N4S — CID 67156362

IUPAC5-cyclopropyl-2-N-(3-methylsulfanylphenyl)pyrimidine-2,4-diamine
SMILESCSc1cccc(Nc2ncc(C3CC3)c(N)n2)c1
InChIInChI=1S/C14H16N4S/c1-19-11-4-2-3-10(7-11)17-14-16-8-12(9-5-6-9)13(15)18-14/h2-4,7-9H,5-6H2,1H3,(H3,15,16,17,18)
InChIKeyDRIOVOUXRVSHCB-UHFFFAOYSA-N
MW272.38 g/mol
LogP3.40
Rot. Bonds4

About 5-cyclopropyl-2-N-(3-methylsulfanylphenyl)pyrimidine-2,4-diamine

5-cyclopropyl-2-N-(3-methylsulfanylphenyl)pyrimidine-2,4-diamine (PubChem CID 67156362) has the molecular formula C14H16N4S and a molecular weight of 272.38 g/mol. Its IUPAC name is 5-cyclopropyl-2-N-(3-methylsulfanylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-cyclopropyl-2-N-(3-methylsulfanylphenyl)pyrimidine-2,4-diamine
PubChem CID67156362
Molecular FormulaC14H16N4S
Molecular Weight272.38 g/mol
Exact Mass272.11
IUPAC Name5-cyclopropyl-2-N-(3-methylsulfanylphenyl)pyrimidine-2,4-diamine
SMILESCSc1cccc(Nc2ncc(C3CC3)c(N)n2)c1
InChIInChI=1S/C14H16N4S/c1-19-11-4-2-3-10(7-11)17-14-16-8-12(9-5-6-9)13(15)18-14/h2-4,7-9H,5-6H2,1H3,(H3,15,16,17,18)
InChIKeyDRIOVOUXRVSHCB-UHFFFAOYSA-N
XLogP3.40
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-N-(3-methylsulfanylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-cyclopropyl-2-N-(3-methylsulfanylphenyl)pyrimidine-2,4-diamine (CID 67156362) is 5-cyclopropyl-2-N-(3-methylsulfanylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-cyclopropyl-2-N-(3-methylsulfanylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-cyclopropyl-2-N-(3-methylsulfanylphenyl)pyrimidine-2,4-diamine is CSc1cccc(Nc2ncc(C3CC3)c(N)n2)c1.
What is the InChIKey of 5-cyclopropyl-2-N-(3-methylsulfanylphenyl)pyrimidine-2,4-diamine?
The InChIKey is DRIOVOUXRVSHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S/c1-19-11-4-2-3-10(7-11)17-14-16-8-12(9-5-6-9)13(15)18-14/h2-4,7-9H,5-6H2,1H3,(H3,15,16,17,18).
What are the key properties of 5-cyclopropyl-2-N-(3-methylsulfanylphenyl)pyrimidine-2,4-diamine?
5-cyclopropyl-2-N-(3-methylsulfanylphenyl)pyrimidine-2,4-diamine has a molecular weight of 272.38 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-N-(3-methylsulfanylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 67156362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).