N-(3,6-dihydro-2H-pyridin-1-ylmethyl)-4-(4-fluorophenyl)-2-propyl-1H-pyrimidin-4-amine

C19H25FN4 — CID 67713014

IUPACN-(3,6-dihydro-2H-pyridin-1-ylmethyl)-4-(4-fluorophenyl)-2-propyl-1H-pyrimidin-4-amine
SMILESCCCC1=NC(NCN2CC=CCC2)(c2ccc(F)cc2)C=CN1
InChIInChI=1S/C19H25FN4/c1-2-6-18-21-12-11-19(23-18,16-7-9-17(20)10-8-16)22-15-24-13-4-3-5-14-24/h3-4,7-12,22H,2,5-6,13-15H2,1H3,(H,21,23)
InChIKeyUOTQBXYOQITJMY-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.10
Rot. Bonds6

About N-(3,6-dihydro-2H-pyridin-1-ylmethyl)-4-(4-fluorophenyl)-2-propyl-1H-pyrimidin-4-amine

N-(3,6-dihydro-2H-pyridin-1-ylmethyl)-4-(4-fluorophenyl)-2-propyl-1H-pyrimidin-4-amine (PubChem CID 67713014) has the molecular formula C19H25FN4 and a molecular weight of 328.44 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyridin-1-ylmethyl)-4-(4-fluorophenyl)-2-propyl-1H-pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyridin-1-ylmethyl)-4-(4-fluorophenyl)-2-propyl-1H-pyrimidin-4-amine
PubChem CID67713014
Molecular FormulaC19H25FN4
Molecular Weight328.44 g/mol
Exact Mass328.21
IUPAC NameN-(3,6-dihydro-2H-pyridin-1-ylmethyl)-4-(4-fluorophenyl)-2-propyl-1H-pyrimidin-4-amine
SMILESCCCC1=NC(NCN2CC=CCC2)(c2ccc(F)cc2)C=CN1
InChIInChI=1S/C19H25FN4/c1-2-6-18-21-12-11-19(23-18,16-7-9-17(20)10-8-16)22-15-24-13-4-3-5-14-24/h3-4,7-12,22H,2,5-6,13-15H2,1H3,(H,21,23)
InChIKeyUOTQBXYOQITJMY-UHFFFAOYSA-N
XLogP3.10
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.10
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,N-diethyl-7-(2-fluorophenyl)-2,3-dihydro-1H-1,4-diazepin-5-amine
CID 44419896
N-[1-(4-fluorophenyl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 4637442
9-ethyl-N-[(3-fluorophenyl)methyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-amine
CID 20931425
N-[(4-fluorophenyl)methyl]-1,4-diazaspiro[5.5]undec-4-en-5-amine
CID 46389041
N-[(2-fluorophenyl)methyl]-1,4-diazaspiro[5.5]undec-4-en-5-amine
CID 46389043
N-cyclohexyl-6-(3-fluorophenyl)-1,2,3,6-tetrahydropyrazin-5-amine
CID 50767865
N-[(4-fluorophenyl)methyl]spiro[cyclohexane-1,2'-imidazo[4,5-c]pyridine]-4'-amine
CID 15195701
4-Amino-6-[5-[(4-fluorophenyl)methylamino]pentylimino]-1,3-dimethyl-2-sulfanylidenepyrimidine-5-carbonitrile
CID 18933366
4-Amino-6-[3-[(4-fluorophenyl)methylamino]propylimino]-1,3-dimethyl-2-sulfanylidenepyrimidine-5-carbonitrile
CID 18933388
4-Amino-6-[4-[(4-fluorophenyl)methylamino]butylimino]-1,3-dimethyl-2-sulfanylidenepyrimidine-5-carbonitrile
CID 18933394
1-[(4-Fluorophenyl)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 56679010
1-bromo-2-(4-fluorophenyl)-N-(1-phenylethyl)pyrimidin-2-amine
CID 57174612

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyridin-1-ylmethyl)-4-(4-fluorophenyl)-2-propyl-1H-pyrimidin-4-amine?
The IUPAC name of N-(3,6-dihydro-2H-pyridin-1-ylmethyl)-4-(4-fluorophenyl)-2-propyl-1H-pyrimidin-4-amine (CID 67713014) is N-(3,6-dihydro-2H-pyridin-1-ylmethyl)-4-(4-fluorophenyl)-2-propyl-1H-pyrimidin-4-amine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyridin-1-ylmethyl)-4-(4-fluorophenyl)-2-propyl-1H-pyrimidin-4-amine?
The canonical SMILES for N-(3,6-dihydro-2H-pyridin-1-ylmethyl)-4-(4-fluorophenyl)-2-propyl-1H-pyrimidin-4-amine is CCCC1=NC(NCN2CC=CCC2)(c2ccc(F)cc2)C=CN1.
What is the InChIKey of N-(3,6-dihydro-2H-pyridin-1-ylmethyl)-4-(4-fluorophenyl)-2-propyl-1H-pyrimidin-4-amine?
The InChIKey is UOTQBXYOQITJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4/c1-2-6-18-21-12-11-19(23-18,16-7-9-17(20)10-8-16)22-15-24-13-4-3-5-14-24/h3-4,7-12,22H,2,5-6,13-15H2,1H3,(H,21,23).
What are the key properties of N-(3,6-dihydro-2H-pyridin-1-ylmethyl)-4-(4-fluorophenyl)-2-propyl-1H-pyrimidin-4-amine?
N-(3,6-dihydro-2H-pyridin-1-ylmethyl)-4-(4-fluorophenyl)-2-propyl-1H-pyrimidin-4-amine has a molecular weight of 328.44 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dihydro-2H-pyridin-1-ylmethyl)-4-(4-fluorophenyl)-2-propyl-1H-pyrimidin-4-amine is sourced from PubChem (CID 67713014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).