1-N-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]propane-1,2-diamine

C18H18FN5 — CID 152579208

IUPAC1-N-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]propane-1,2-diamine
SMILESCC(N)CNc1ncc(-c2ccc(F)cc2)c(-c2ccncc2)n1
InChIInChI=1S/C18H18FN5/c1-12(20)10-22-18-23-11-16(13-2-4-15(19)5-3-13)17(24-18)14-6-8-21-9-7-14/h2-9,11-12H,10,20H2,1H3,(H,22,23,24)
InChIKeyYTCXGVXHCLUPCD-UHFFFAOYSA-N
MW323.38 g/mol
LogP3.10
Rot. Bonds5

About 1-N-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]propane-1,2-diamine

1-N-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]propane-1,2-diamine (PubChem CID 152579208) has the molecular formula C18H18FN5 and a molecular weight of 323.38 g/mol. Its IUPAC name is 1-N-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]propane-1,2-diamine
PubChem CID152579208
Molecular FormulaC18H18FN5
Molecular Weight323.38 g/mol
Exact Mass323.15
IUPAC Name1-N-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]propane-1,2-diamine
SMILESCC(N)CNc1ncc(-c2ccc(F)cc2)c(-c2ccncc2)n1
InChIInChI=1S/C18H18FN5/c1-12(20)10-22-18-23-11-16(13-2-4-15(19)5-3-13)17(24-18)14-6-8-21-9-7-14/h2-9,11-12H,10,20H2,1H3,(H,22,23,24)
InChIKeyYTCXGVXHCLUPCD-UHFFFAOYSA-N
XLogP3.10
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]-4-pyridin-4-ylpyrimidin-2-amine
CID 23000432
N-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]butanamide
CID 23000446
1-N-[5-(4-chlorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]-3-phenylpropane-1,2-diamine;hydrochloride
CID 23000452
1-N-(5-fluoropyrimidin-2-yl)propane-1,2-diamine
CID 104606339
(2S)-1-N-[5-(3-methylphenyl)-4-pyridin-4-ylpyrimidin-2-yl]-3-phenylpropane-1,2-diamine
CID 70023723
1-N-[5-(3-methylphenyl)-4-pyridin-4-ylpyrimidin-2-yl]-3-phenylpropane-1,2-diamine
CID 23000369
4-(4-methylphenyl)-N-(oxan-4-ylmethyl)-5-pyridin-4-ylpyrimidin-2-amine
CID 50981857
5-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)-4-pyridin-4-ylpyrimidine
CID 23000436
2-aminoacetamide;N-(2-phenylpropyl)-4-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;hydrochloride
CID 23000389
N-[4-(3-fluorophenyl)-5-pyridin-4-ylpyrimidin-2-yl]butanamide
CID 12051168
5-(4-fluorophenyl)-4-(1-methylimidazol-2-yl)-N-propan-2-ylpyrimidin-2-amine
CID 92580271
1-(2-fluorophenyl)-N'-[4-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]propane-1,3-diamine;hydrochloride
CID 70023989

Frequently Asked Questions

What is the IUPAC name of 1-N-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]propane-1,2-diamine?
The IUPAC name of 1-N-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]propane-1,2-diamine (CID 152579208) is 1-N-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]propane-1,2-diamine.
What is the SMILES notation for 1-N-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]propane-1,2-diamine?
The canonical SMILES for 1-N-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]propane-1,2-diamine is CC(N)CNc1ncc(-c2ccc(F)cc2)c(-c2ccncc2)n1.
What is the InChIKey of 1-N-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]propane-1,2-diamine?
The InChIKey is YTCXGVXHCLUPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5/c1-12(20)10-22-18-23-11-16(13-2-4-15(19)5-3-13)17(24-18)14-6-8-21-9-7-14/h2-9,11-12H,10,20H2,1H3,(H,22,23,24).
What are the key properties of 1-N-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]propane-1,2-diamine?
1-N-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]propane-1,2-diamine has a molecular weight of 323.38 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]propane-1,2-diamine is sourced from PubChem (CID 152579208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).