N-phenyl-4-thiophen-2-ylpyrimidin-5-amine

C14H11N3S — CID 142763224

IUPACN-phenyl-4-thiophen-2-ylpyrimidin-5-amine
SMILESc1ccc(Nc2cncnc2-c2cccs2)cc1
InChIInChI=1S/C14H11N3S/c1-2-5-11(6-3-1)17-12-9-15-10-16-14(12)13-7-4-8-18-13/h1-10,17H
InChIKeyJQVGKSWBITWBIM-UHFFFAOYSA-N
MW253.33 g/mol
LogP3.95
Rot. Bonds3

About N-phenyl-4-thiophen-2-ylpyrimidin-5-amine

N-phenyl-4-thiophen-2-ylpyrimidin-5-amine (PubChem CID 142763224) has the molecular formula C14H11N3S and a molecular weight of 253.33 g/mol. Its IUPAC name is N-phenyl-4-thiophen-2-ylpyrimidin-5-amine.

Molecular Properties

Compound NameN-phenyl-4-thiophen-2-ylpyrimidin-5-amine
PubChem CID142763224
Molecular FormulaC14H11N3S
Molecular Weight253.33 g/mol
Exact Mass253.07
IUPAC NameN-phenyl-4-thiophen-2-ylpyrimidin-5-amine
SMILESc1ccc(Nc2cncnc2-c2cccs2)cc1
InChIInChI=1S/C14H11N3S/c1-2-5-11(6-3-1)17-12-9-15-10-16-14(12)13-7-4-8-18-13/h1-10,17H
InChIKeyJQVGKSWBITWBIM-UHFFFAOYSA-N
XLogP3.95
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-phenyl-6-thiophen-2-ylpteridin-7-one
CID 3232627
5-bromo-4,6-dithiophen-2-ylpyrimidine
CID 134693324
5-(1,3-benzodioxol-5-yl)-4-thiophen-2-ylpyrimidine
CID 141147881
8-methyl-N-phenyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
CID 15989567
4-thiophen-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 82043862
4-methoxy-5-thiophen-2-ylpyrimidine
CID 173254670
6-anilinoquinazoline-5,8-dione
CID 11776927
4-[(5-thiophen-2-ylpyrimidin-2-yl)amino]benzoic acid
CID 11580239
4-N-thiophen-2-ylpyrimidine-4,5-diamine
CID 83618912
4-(5-amino-3-pyridinyl)-N-(3-chlorophenyl)pyrimidin-5-amine
CID 71048937
6-anilino-3-thiophen-2-yl-[1,2,4]triazino[2,3-c]quinazolin-2-one
CID 71912900
N-(4-anilinophenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285313

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-thiophen-2-ylpyrimidin-5-amine?
The IUPAC name of N-phenyl-4-thiophen-2-ylpyrimidin-5-amine (CID 142763224) is N-phenyl-4-thiophen-2-ylpyrimidin-5-amine.
What is the SMILES notation for N-phenyl-4-thiophen-2-ylpyrimidin-5-amine?
The canonical SMILES for N-phenyl-4-thiophen-2-ylpyrimidin-5-amine is c1ccc(Nc2cncnc2-c2cccs2)cc1.
What is the InChIKey of N-phenyl-4-thiophen-2-ylpyrimidin-5-amine?
The InChIKey is JQVGKSWBITWBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3S/c1-2-5-11(6-3-1)17-12-9-15-10-16-14(12)13-7-4-8-18-13/h1-10,17H.
What are the key properties of N-phenyl-4-thiophen-2-ylpyrimidin-5-amine?
N-phenyl-4-thiophen-2-ylpyrimidin-5-amine has a molecular weight of 253.33 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-thiophen-2-ylpyrimidin-5-amine is sourced from PubChem (CID 142763224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).