N-ethyl-2-(4-fluoro-2-methylphenyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine

C17H22FN3 — CID 81272931

IUPACN-ethyl-2-(4-fluoro-2-methylphenyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(F)cc2C)nc(C)c1C(C)C
InChIInChI=1S/C17H22FN3/c1-6-19-17-15(10(2)3)12(5)20-16(21-17)14-8-7-13(18)9-11(14)4/h7-10H,6H2,1-5H3,(H,19,20,21)
InChIKeyCLVQIUYGEGGZAM-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.45
Rot. Bonds4

About N-ethyl-2-(4-fluoro-2-methylphenyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine

N-ethyl-2-(4-fluoro-2-methylphenyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine (PubChem CID 81272931) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is N-ethyl-2-(4-fluoro-2-methylphenyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(4-fluoro-2-methylphenyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
PubChem CID81272931
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC NameN-ethyl-2-(4-fluoro-2-methylphenyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(F)cc2C)nc(C)c1C(C)C
InChIInChI=1S/C17H22FN3/c1-6-19-17-15(10(2)3)12(5)20-16(21-17)14-8-7-13(18)9-11(14)4/h7-10H,6H2,1-5H3,(H,19,20,21)
InChIKeyCLVQIUYGEGGZAM-UHFFFAOYSA-N
XLogP4.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Diamino-5-phenyl-6-ethylpyrimidine, 2,4-
CID 93114
4-(4-Fluoro-1-naphthalenyl)-6-(1-methylethyl)-2-pyrimidinamine
CID 196968
Revaprazan
CID 204104
2-Pyridinamine, 6-methyl-N-(phenylmethyl)-
CID 112445
5-Phenyl-6-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 9814965
2,4-Pyrimidinediamine, 6-hexyl-5-phenyl-
CID 9881905
6-Ethyl-5-(4-methylphenyl)pyrimidine-2,4-diamine
CID 11020649
4-(4-Methylpiperidin-1-Yl)-6-[4-(Trifluoromethyl)phenyl]pyrimidin-2-Amine
CID 75815440
6-Methyl-5-phenyl-2,4-pyrimidinediamine
CID 72565
4-Amino-2,6-diphenylpyrimidine
CID 619020
2-N-benzyl-4-N-butyl-6-methylpyrimidine-2,4-diamine
CID 659917
4-(Methylamino)-2,6-diphenylpyrimidine-5-carbonitrile
CID 1480496

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-fluoro-2-methylphenyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-ethyl-2-(4-fluoro-2-methylphenyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine (CID 81272931) is N-ethyl-2-(4-fluoro-2-methylphenyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-(4-fluoro-2-methylphenyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-(4-fluoro-2-methylphenyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine is CCNc1nc(-c2ccc(F)cc2C)nc(C)c1C(C)C.
What is the InChIKey of N-ethyl-2-(4-fluoro-2-methylphenyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is CLVQIUYGEGGZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-6-19-17-15(10(2)3)12(5)20-16(21-17)14-8-7-13(18)9-11(14)4/h7-10H,6H2,1-5H3,(H,19,20,21).
What are the key properties of N-ethyl-2-(4-fluoro-2-methylphenyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine?
N-ethyl-2-(4-fluoro-2-methylphenyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 287.38 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-fluoro-2-methylphenyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 81272931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).