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

C20H25FN4 — CID 112911199

IUPAC2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NCc2ccccc2F)nc(NCCC2=CCCCC2)n1
InChIInChI=1S/C20H25FN4/c1-15-13-19(23-14-17-9-5-6-10-18(17)21)25-20(24-15)22-12-11-16-7-3-2-4-8-16/h5-7,9-10,13H,2-4,8,11-12,14H2,1H3,(H2,22,23,24,25)
InChIKeyYDFWCUUBRXABAM-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.84
Rot. Bonds7

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

2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine (PubChem CID 112911199) has the molecular formula C20H25FN4 and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
PubChem CID112911199
Molecular FormulaC20H25FN4
Molecular Weight340.45 g/mol
Exact Mass340.21
IUPAC Name2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NCc2ccccc2F)nc(NCCC2=CCCCC2)n1
InChIInChI=1S/C20H25FN4/c1-15-13-19(23-14-17-9-5-6-10-18(17)21)25-20(24-15)22-12-11-16-7-3-2-4-8-16/h5-7,9-10,13H,2-4,8,11-12,14H2,1H3,(H2,22,23,24,25)
InChIKeyYDFWCUUBRXABAM-UHFFFAOYSA-N
XLogP4.84
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109323403
2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-cyclopropyl-6-methylpyrimidine-2,4-diamine
CID 112907398
4-N-(3-chloro-4-fluorophenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112911271
4-N-[(2-fluorophenyl)methyl]-2-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 112911522
4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112911170
2-N-[2-(3-chlorophenyl)ethyl]-4-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917241
4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112911101
N-[2-(cyclohexen-1-yl)ethyl]-2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109323394
2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[4-(dimethylamino)phenyl]-6-methylpyrimidine-2,4-diamine
CID 112911296
2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112915799
2-[(2-chlorophenyl)methylamino]-N-[2-(cyclohexen-1-yl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109323392
2-N-[(2-fluorophenyl)methyl]-6-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112917338

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine (CID 112911199) is 2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine is Cc1cc(NCc2ccccc2F)nc(NCCC2=CCCCC2)n1.
What is the InChIKey of 2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine?
The InChIKey is YDFWCUUBRXABAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4/c1-15-13-19(23-14-17-9-5-6-10-18(17)21)25-20(24-15)22-12-11-16-7-3-2-4-8-16/h5-7,9-10,13H,2-4,8,11-12,14H2,1H3,(H2,22,23,24,25).
What are the key properties of 2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine?
2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine has a molecular weight of 340.45 g/mol, XLogP of 4.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112911199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).