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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Related Compounds

5-fluoro-2-N,4-N-bis(3-methylsulfanylphenyl)pyrimidine-2,4-diamine
CID 1284769
2-cyclopropyl-6-hydrazinyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine
CID 80969098
2-N,2-N-dimethyl-4-N-(3-methylsulfanylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 80768872
2-N-(3-methoxyphenyl)-5-[1-(oxan-4-ylmethyl)piperidin-4-yl]pyrimidine-2,4-diamine
CID 167266695
6-N-(3-methylsulfanylphenyl)pyridine-2,6-diamine
CID 80647295
5-(1-cyclopentylpiperidin-4-yl)-2-N-(2-methyl-4-pyridinyl)pyrimidine-2,4-diamine
CID 165178069
N-(3-methylsulfanylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine
CID 11313605
6-chloro-2-cyclopropyl-5-methyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine
CID 80974347
5-bromo-2-N-(3-methylsulfanylphenyl)-4-N-prop-2-ynylpyrimidine-2,4-diamine
CID 58891355
2-N-(2-chloro-4-pyridinyl)-5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyrimidine-2,4-diamine
CID 167266686
6-methyl-2-N-(3-methylsulfanylphenyl)pyridine-2,3-diamine
CID 79020854
N-phenyl-3,5-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-4-amine
CID 104609507

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).