4-(4-propan-2-ylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine

C18H19N3S — CID 68647705

IUPAC4-(4-propan-2-ylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
SMILESCC(C)c1ccc(-c2ccnc(NCc3cccs3)n2)cc1
InChIInChI=1S/C18H19N3S/c1-13(2)14-5-7-15(8-6-14)17-9-10-19-18(21-17)20-12-16-4-3-11-22-16/h3-11,13H,12H2,1-2H3,(H,19,20,21)
InChIKeyFPFJXSSMXAIXDC-UHFFFAOYSA-N
MW309.44 g/mol
LogP4.94
Rot. Bonds5

About 4-(4-propan-2-ylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine

4-(4-propan-2-ylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine (PubChem CID 68647705) has the molecular formula C18H19N3S and a molecular weight of 309.44 g/mol. Its IUPAC name is 4-(4-propan-2-ylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-propan-2-ylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
PubChem CID68647705
Molecular FormulaC18H19N3S
Molecular Weight309.44 g/mol
Exact Mass309.13
IUPAC Name4-(4-propan-2-ylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
SMILESCC(C)c1ccc(-c2ccnc(NCc3cccs3)n2)cc1
InChIInChI=1S/C18H19N3S/c1-13(2)14-5-7-15(8-6-14)17-9-10-19-18(21-17)20-12-16-4-3-11-22-16/h3-11,13H,12H2,1-2H3,(H,19,20,21)
InChIKeyFPFJXSSMXAIXDC-UHFFFAOYSA-N
XLogP4.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 79557672
4-[[[4-(4-propan-2-ylphenyl)pyrimidin-2-yl]-(thiophen-2-ylmethyl)carbamoyl]amino]benzoic acid;hydrochloride
CID 68647908
methyl 2-[[[4-(4-propan-2-ylphenyl)pyrimidin-2-yl]-(thiophen-2-ylmethyl)carbamoyl]amino]benzoate
CID 68647843
3-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
CID 29299237
4-fluoro-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 167018958
4-(4-iodophenyl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 157146775
2-N-ethyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-2,4-diamine
CID 80830294
5-chloro-2-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80771359
4-ethoxy-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-2-amine
CID 115974875
2-(4-propan-2-ylphenyl)-2-(thiophen-2-ylmethylamino)propanoic acid
CID 61002200
(4-propan-2-ylphenyl)methyl-(thiophen-2-ylmethyl)azanium
CID 7458318
2-[(4-propan-2-ylphenyl)methylamino]pyrimidine-4-carboxylic acid
CID 107553513

Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-ylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-propan-2-ylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine (CID 68647705) is 4-(4-propan-2-ylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-propan-2-ylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-propan-2-ylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine is CC(C)c1ccc(-c2ccnc(NCc3cccs3)n2)cc1.
What is the InChIKey of 4-(4-propan-2-ylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine?
The InChIKey is FPFJXSSMXAIXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3S/c1-13(2)14-5-7-15(8-6-14)17-9-10-19-18(21-17)20-12-16-4-3-11-22-16/h3-11,13H,12H2,1-2H3,(H,19,20,21).
What are the key properties of 4-(4-propan-2-ylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine?
4-(4-propan-2-ylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine has a molecular weight of 309.44 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-ylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 68647705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).