2-(5-chlorothiophen-2-yl)-5,6-diethyl-N-(2-fluoro-4-methylphenyl)pyrimidin-4-amine

C19H19ClFN3S — CID 143331698

IUPAC2-(5-chlorothiophen-2-yl)-5,6-diethyl-N-(2-fluoro-4-methylphenyl)pyrimidin-4-amine
SMILESCCc1nc(-c2ccc(Cl)s2)nc(Nc2ccc(C)cc2F)c1CC
InChIInChI=1S/C19H19ClFN3S/c1-4-12-14(5-2)22-19(16-8-9-17(20)25-16)24-18(12)23-15-7-6-11(3)10-13(15)21/h6-10H,4-5H2,1-3H3,(H,22,23,24)
InChIKeyFJRYYENQXMXSDK-UHFFFAOYSA-N
MW375.90 g/mol
LogP6.17
Rot. Bonds5

About 2-(5-chlorothiophen-2-yl)-5,6-diethyl-N-(2-fluoro-4-methylphenyl)pyrimidin-4-amine

2-(5-chlorothiophen-2-yl)-5,6-diethyl-N-(2-fluoro-4-methylphenyl)pyrimidin-4-amine (PubChem CID 143331698) has the molecular formula C19H19ClFN3S and a molecular weight of 375.90 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-5,6-diethyl-N-(2-fluoro-4-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-5,6-diethyl-N-(2-fluoro-4-methylphenyl)pyrimidin-4-amine
PubChem CID143331698
Molecular FormulaC19H19ClFN3S
Molecular Weight375.90 g/mol
Exact Mass375.10
IUPAC Name2-(5-chlorothiophen-2-yl)-5,6-diethyl-N-(2-fluoro-4-methylphenyl)pyrimidin-4-amine
SMILESCCc1nc(-c2ccc(Cl)s2)nc(Nc2ccc(C)cc2F)c1CC
InChIInChI=1S/C19H19ClFN3S/c1-4-12-14(5-2)22-19(16-8-9-17(20)25-16)24-18(12)23-15-7-6-11(3)10-13(15)21/h6-10H,4-5H2,1-3H3,(H,22,23,24)
InChIKeyFJRYYENQXMXSDK-UHFFFAOYSA-N
XLogP6.17
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.90
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-[[6-ethyl-2-(5-fluorothiophen-2-yl)-5-prop-2-enylpyrimidin-4-yl]amino]benzoic acid
CID 143331524
2-[4-[[2-(5-chlorothiophen-2-yl)-5-ethyl-6-methylpyrimidin-4-yl]amino]-2-hydroxyphenyl]acetic acid
CID 58775572
2-[4-[[2-(5-chlorothiophen-2-yl)-6-ethyl-5-(hydroxymethyl)pyrimidin-4-yl]amino]phenyl]acetic acid
CID 143331621
2-(5-chlorothiophen-2-yl)-5-ethyl-6-methyl-N-(2-methyl-3H-1,2-benzoxaborol-6-yl)pyrimidin-4-amine
CID 159753002
N-(4-ethyl-2-fluorophenyl)-5-methoxy-2-[5-(methoxymethyl)thiophen-2-yl]-6-methylpyrimidin-4-amine
CID 143331874
2-[4-[[5,6-diethyl-2-[5-(4-methylsulfanylphenyl)thiophen-2-yl]pyrimidin-4-yl]amino]phenyl]acetic acid
CID 58775584
2-[4-[[2-(5-bromothiophen-2-yl)-5-(hydroxymethyl)-6-methylpyrimidin-4-yl]amino]-3-fluorophenyl]acetic acid
CID 58774916
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluoro-4-methylaniline
CID 43439176
2-[4-[[2-(5-bromothiophen-2-yl)-5,6-diethylpyrimidin-4-yl]amino]phenyl]acetic acid
CID 15950951
4-[[2-(5-cyclopropylthiophen-2-yl)-5,6-diethylpyrimidin-4-yl]amino]benzoic acid
CID 143331820
4-[5-[4,5-diethyl-6-[4-(2-oxoethyl)anilino]pyrimidin-2-yl]thiophen-2-yl]benzoic acid
CID 143331766
4-chloro-5-ethyl-6-methyl-2-(5-methylthiophen-2-yl)pyrimidine
CID 60999742

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-5,6-diethyl-N-(2-fluoro-4-methylphenyl)pyrimidin-4-amine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-5,6-diethyl-N-(2-fluoro-4-methylphenyl)pyrimidin-4-amine (CID 143331698) is 2-(5-chlorothiophen-2-yl)-5,6-diethyl-N-(2-fluoro-4-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-5,6-diethyl-N-(2-fluoro-4-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-5,6-diethyl-N-(2-fluoro-4-methylphenyl)pyrimidin-4-amine is CCc1nc(-c2ccc(Cl)s2)nc(Nc2ccc(C)cc2F)c1CC.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-5,6-diethyl-N-(2-fluoro-4-methylphenyl)pyrimidin-4-amine?
The InChIKey is FJRYYENQXMXSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN3S/c1-4-12-14(5-2)22-19(16-8-9-17(20)25-16)24-18(12)23-15-7-6-11(3)10-13(15)21/h6-10H,4-5H2,1-3H3,(H,22,23,24).
What are the key properties of 2-(5-chlorothiophen-2-yl)-5,6-diethyl-N-(2-fluoro-4-methylphenyl)pyrimidin-4-amine?
2-(5-chlorothiophen-2-yl)-5,6-diethyl-N-(2-fluoro-4-methylphenyl)pyrimidin-4-amine has a molecular weight of 375.90 g/mol, XLogP of 6.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-5,6-diethyl-N-(2-fluoro-4-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 143331698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).