N-(3-methoxyphenyl)-4-(3-methylthiophen-2-yl)pyrimidin-2-amine

C16H15N3OS — CID 14347147

IUPACN-(3-methoxyphenyl)-4-(3-methylthiophen-2-yl)pyrimidin-2-amine
SMILESCOc1cccc(Nc2nccc(-c3sccc3C)n2)c1
InChIInChI=1S/C16H15N3OS/c1-11-7-9-21-15(11)14-6-8-17-16(19-14)18-12-4-3-5-13(10-12)20-2/h3-10H,1-2H3,(H,17,18,19)
InChIKeyZDAHYYAIVHARGJ-UHFFFAOYSA-N
MW297.38 g/mol
LogP4.27
Rot. Bonds4

About N-(3-methoxyphenyl)-4-(3-methylthiophen-2-yl)pyrimidin-2-amine

N-(3-methoxyphenyl)-4-(3-methylthiophen-2-yl)pyrimidin-2-amine (PubChem CID 14347147) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-(3-methylthiophen-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-(3-methylthiophen-2-yl)pyrimidin-2-amine
PubChem CID14347147
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC NameN-(3-methoxyphenyl)-4-(3-methylthiophen-2-yl)pyrimidin-2-amine
SMILESCOc1cccc(Nc2nccc(-c3sccc3C)n2)c1
InChIInChI=1S/C16H15N3OS/c1-11-7-9-21-15(11)14-6-8-17-16(19-14)18-12-4-3-5-13(10-12)20-2/h3-10H,1-2H3,(H,17,18,19)
InChIKeyZDAHYYAIVHARGJ-UHFFFAOYSA-N
XLogP4.27
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-Methoxy-3-methyl-phenyl)-thiazol-2-yl]-pyrimidin-2-yl-amine
CID 695894
N-[3-[2-(1H-imidazol-1-yl)ethoxy]phenyl]-4-(2-thienyl)-2-pyrimidinamine
CID 9820417
N-(3-(benzyloxy)phenyl)-4-(thiazol-2-yl)pyrimidin-2-amine
CID 9925060
N-(3-phenoxyphenyl)-4-(thiazol-2-yl)pyrimidin-2-amine
CID 10291291
6-[5-(difluoromethyl)thiophen-2-yl]-2-methoxy-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 11567324
N-(3-methoxyphenyl)-4-pyridin-4-ylpyrimidin-2-amine
CID 14347071
N-(3-methoxyphenyl)-4-pyridin-3-ylpyrimidin-2-amine
CID 14347076
N-(3-methoxyphenyl)-4-thiophen-2-ylpyrimidin-2-amine
CID 14347091
(9E)-15-(2-methoxyethoxy)-12-methyl-7-oxa-26-thia-12,19,21,24-tetrazatetracyclo[18.3.1.12,5.114,18]hexacosa-1(24),2,4,9,14,16,18(25),20,22-nonaene
CID 16739921
(9E)-15-(2-pyrrolidin-1-ylethoxy)-7,12-dioxa-4-thia-19,21,24-triazatetracyclo[18.3.1.12,5.114,18]hexacosa-1(24),2,5(26),9,14,16,18(25),20,22-nonaene
CID 16750306
(2-(2-(3-Methoxy-5-(trifluoromethyl)phenylamino)pyrimidin-4-yl)thiazol-4-yl)methanol
CID 44589514
N-(3-methoxy-5-(trifluoromethyl)phenyl)-4-(5-methylthiazol-2-yl)pyrimidin-2-amine
CID 44589516

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-(3-methylthiophen-2-yl)pyrimidin-2-amine?
The IUPAC name of N-(3-methoxyphenyl)-4-(3-methylthiophen-2-yl)pyrimidin-2-amine (CID 14347147) is N-(3-methoxyphenyl)-4-(3-methylthiophen-2-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-4-(3-methylthiophen-2-yl)pyrimidin-2-amine?
The canonical SMILES for N-(3-methoxyphenyl)-4-(3-methylthiophen-2-yl)pyrimidin-2-amine is COc1cccc(Nc2nccc(-c3sccc3C)n2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-(3-methylthiophen-2-yl)pyrimidin-2-amine?
The InChIKey is ZDAHYYAIVHARGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-11-7-9-21-15(11)14-6-8-17-16(19-14)18-12-4-3-5-13(10-12)20-2/h3-10H,1-2H3,(H,17,18,19).
What are the key properties of N-(3-methoxyphenyl)-4-(3-methylthiophen-2-yl)pyrimidin-2-amine?
N-(3-methoxyphenyl)-4-(3-methylthiophen-2-yl)pyrimidin-2-amine has a molecular weight of 297.38 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-(3-methylthiophen-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 14347147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).