6-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(3-fluorophenyl)-2-methylpyrimidine-4,6-diamine

C19H23FN4 — CID 112869429

IUPAC6-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(3-fluorophenyl)-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(NCCC2=CCCCC2)cc(Nc2cccc(F)c2)n1
InChIInChI=1S/C19H23FN4/c1-14-22-18(21-11-10-15-6-3-2-4-7-15)13-19(23-14)24-17-9-5-8-16(20)12-17/h5-6,8-9,12-13H,2-4,7,10-11H2,1H3,(H2,21,22,23,24)
InChIKeyVMMICMQUMCYKCK-UHFFFAOYSA-N
MW326.42 g/mol
LogP4.97
Rot. Bonds6

About 6-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(3-fluorophenyl)-2-methylpyrimidine-4,6-diamine

6-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(3-fluorophenyl)-2-methylpyrimidine-4,6-diamine (PubChem CID 112869429) has the molecular formula C19H23FN4 and a molecular weight of 326.42 g/mol. Its IUPAC name is 6-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(3-fluorophenyl)-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(3-fluorophenyl)-2-methylpyrimidine-4,6-diamine
PubChem CID112869429
Molecular FormulaC19H23FN4
Molecular Weight326.42 g/mol
Exact Mass326.19
IUPAC Name6-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(3-fluorophenyl)-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(NCCC2=CCCCC2)cc(Nc2cccc(F)c2)n1
InChIInChI=1S/C19H23FN4/c1-14-22-18(21-11-10-15-6-3-2-4-7-15)13-19(23-14)24-17-9-5-8-16(20)12-17/h5-6,8-9,12-13H,2-4,7,10-11H2,1H3,(H2,21,22,23,24)
InChIKeyVMMICMQUMCYKCK-UHFFFAOYSA-N
XLogP4.97
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(3-fluorophenyl)-2-methylpyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-(2-chlorophenyl)-6-N-[2-(cyclohexen-1-yl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112869401
6-N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-4-N-prop-2-enylpyrimidine-4,6-diamine
CID 112867644
6-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(2-ethoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112869410
4-N-(3-fluorophenyl)-2-methyl-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112867796
6-N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112869351
N-[2-(cyclopenten-1-yl)ethyl]-2,6-dimethylpyrimidin-4-amine
CID 103844282
4-N-[2-(cyclohexen-1-yl)ethyl]-6-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112869368
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109323473
4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112911170
N-[2-(cyclohexen-1-yl)ethyl]-6-(3-fluoroanilino)pyrimidine-4-carboxamide
CID 109342721
N-[2-(cyclohexen-1-yl)ethyl]-6-[2-(4-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109364552
1-[3-[[6-[2-(cyclohexen-1-yl)ethylamino]pyrimidin-4-yl]amino]phenyl]ethanone
CID 112856617

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(3-fluorophenyl)-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(3-fluorophenyl)-2-methylpyrimidine-4,6-diamine (CID 112869429) is 6-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(3-fluorophenyl)-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(3-fluorophenyl)-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(3-fluorophenyl)-2-methylpyrimidine-4,6-diamine is Cc1nc(NCCC2=CCCCC2)cc(Nc2cccc(F)c2)n1.
What is the InChIKey of 6-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(3-fluorophenyl)-2-methylpyrimidine-4,6-diamine?
The InChIKey is VMMICMQUMCYKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4/c1-14-22-18(21-11-10-15-6-3-2-4-7-15)13-19(23-14)24-17-9-5-8-16(20)12-17/h5-6,8-9,12-13H,2-4,7,10-11H2,1H3,(H2,21,22,23,24).
What are the key properties of 6-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(3-fluorophenyl)-2-methylpyrimidine-4,6-diamine?
6-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(3-fluorophenyl)-2-methylpyrimidine-4,6-diamine has a molecular weight of 326.42 g/mol, XLogP of 4.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(3-fluorophenyl)-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 112869429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).