N-cyclopropyl-6-(4-methylsulfanylphenyl)pyrimidin-4-amine

C14H15N3S — CID 82483168

IUPACN-cyclopropyl-6-(4-methylsulfanylphenyl)pyrimidin-4-amine
SMILESCSc1ccc(-c2cc(NC3CC3)ncn2)cc1
InChIInChI=1S/C14H15N3S/c1-18-12-6-2-10(3-7-12)13-8-14(16-9-15-13)17-11-4-5-11/h2-3,6-9,11H,4-5H2,1H3,(H,15,16,17)
InChIKeyBUAQCUHROBSMRT-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.44
Rot. Bonds4

About N-cyclopropyl-6-(4-methylsulfanylphenyl)pyrimidin-4-amine

N-cyclopropyl-6-(4-methylsulfanylphenyl)pyrimidin-4-amine (PubChem CID 82483168) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-cyclopropyl-6-(4-methylsulfanylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-6-(4-methylsulfanylphenyl)pyrimidin-4-amine
PubChem CID82483168
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC NameN-cyclopropyl-6-(4-methylsulfanylphenyl)pyrimidin-4-amine
SMILESCSc1ccc(-c2cc(NC3CC3)ncn2)cc1
InChIInChI=1S/C14H15N3S/c1-18-12-6-2-10(3-7-12)13-8-14(16-9-15-13)17-11-4-5-11/h2-3,6-9,11H,4-5H2,1H3,(H,15,16,17)
InChIKeyBUAQCUHROBSMRT-UHFFFAOYSA-N
XLogP3.44
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-6-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 96667428
N-cyclopropyl-6-pyrimidin-5-ylpyrimidin-4-amine
CID 141185839
N-cyclopentyl-6-methylsulfanylpyrimidin-4-amine
CID 106972534
N-tert-butyl-4-[6-(cyclohexylamino)pyrimidin-4-yl]benzamide
CID 53009834
N-[4-[[6-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]cyclohexyl]acetamide
CID 139574214
6-(4-methoxyphenyl)-N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)pyrimidin-4-amine
CID 166382927
6-N-cyclohexyl-4-N-cyclopropylpyrimidine-4,6-diamine
CID 112854680
N-(4-methylcyclohexyl)-5-methylsulfanylpyridin-2-amine
CID 115735839
6-(4-cyclopropyloxyphenyl)-N-methylpyrimidin-4-amine
CID 114520318
4-N-cyclopropyl-6-N-propylpyrimidine-4,6-diamine
CID 80769657
N-butyl-4-[6-(cyclohexylamino)pyrimidin-4-yl]-N-methylbenzamide
CID 53098979
N-cyclopentyl-6-[2-(4-fluorophenyl)-7-methylsulfanylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-amine
CID 10180379

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-(4-methylsulfanylphenyl)pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-6-(4-methylsulfanylphenyl)pyrimidin-4-amine (CID 82483168) is N-cyclopropyl-6-(4-methylsulfanylphenyl)pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-6-(4-methylsulfanylphenyl)pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-6-(4-methylsulfanylphenyl)pyrimidin-4-amine is CSc1ccc(-c2cc(NC3CC3)ncn2)cc1.
What is the InChIKey of N-cyclopropyl-6-(4-methylsulfanylphenyl)pyrimidin-4-amine?
The InChIKey is BUAQCUHROBSMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S/c1-18-12-6-2-10(3-7-12)13-8-14(16-9-15-13)17-11-4-5-11/h2-3,6-9,11H,4-5H2,1H3,(H,15,16,17).
What are the key properties of N-cyclopropyl-6-(4-methylsulfanylphenyl)pyrimidin-4-amine?
N-cyclopropyl-6-(4-methylsulfanylphenyl)pyrimidin-4-amine has a molecular weight of 257.36 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-(4-methylsulfanylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 82483168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).