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

C15H18FN3 — CID 62388957

IUPAC2-(5-fluoro-2-methylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
SMILESCNc1cc(C(C)C)nc(-c2cc(F)ccc2C)n1
InChIInChI=1S/C15H18FN3/c1-9(2)13-8-14(17-4)19-15(18-13)12-7-11(16)6-5-10(12)3/h5-9H,1-4H3,(H,17,18,19)
InChIKeyVRKJULJWZYVSTH-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.76
Rot. Bonds3

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

2-(5-fluoro-2-methylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine (PubChem CID 62388957) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-fluoro-2-methylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
PubChem CID62388957
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Name2-(5-fluoro-2-methylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
SMILESCNc1cc(C(C)C)nc(-c2cc(F)ccc2C)n1
InChIInChI=1S/C15H18FN3/c1-9(2)13-8-14(17-4)19-15(18-13)12-7-11(16)6-5-10(12)3/h5-9H,1-4H3,(H,17,18,19)
InChIKeyVRKJULJWZYVSTH-UHFFFAOYSA-N
XLogP3.76
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.76
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
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
2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 25070582
Revaprazan Hydrochloride
CID 204103

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-(5-fluoro-2-methylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine (CID 62388957) is 2-(5-fluoro-2-methylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-(5-fluoro-2-methylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-(5-fluoro-2-methylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine is CNc1cc(C(C)C)nc(-c2cc(F)ccc2C)n1.
What is the InChIKey of 2-(5-fluoro-2-methylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is VRKJULJWZYVSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-9(2)13-8-14(17-4)19-15(18-13)12-7-11(16)6-5-10(12)3/h5-9H,1-4H3,(H,17,18,19).
What are the key properties of 2-(5-fluoro-2-methylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine?
2-(5-fluoro-2-methylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 259.33 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 62388957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).