2-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]-1,5-dimethyl-6-methylidenepyrimidin-2-yl]propan-2-amine

C19H25FN4 — CID 137381235

IUPAC2-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]-1,5-dimethyl-6-methylidenepyrimidin-2-yl]propan-2-amine
SMILESC=C(NCc1ccc(F)cc1)C1=C(C)C(=C)N(C)C(C(C)(C)N)=N1
InChIInChI=1S/C19H25FN4/c1-12-14(3)24(6)18(19(4,5)21)23-17(12)13(2)22-11-15-7-9-16(20)10-8-15/h7-10,22H,2-3,11,21H2,1,4-6H3
InChIKeyAAXQHCNBCYPSLD-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.30
Rot. Bonds5

About 2-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]-1,5-dimethyl-6-methylidenepyrimidin-2-yl]propan-2-amine

2-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]-1,5-dimethyl-6-methylidenepyrimidin-2-yl]propan-2-amine (PubChem CID 137381235) has the molecular formula C19H25FN4 and a molecular weight of 328.44 g/mol. Its IUPAC name is 2-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]-1,5-dimethyl-6-methylidenepyrimidin-2-yl]propan-2-amine.

Molecular Properties

Compound Name2-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]-1,5-dimethyl-6-methylidenepyrimidin-2-yl]propan-2-amine
PubChem CID137381235
Molecular FormulaC19H25FN4
Molecular Weight328.44 g/mol
Exact Mass328.21
IUPAC Name2-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]-1,5-dimethyl-6-methylidenepyrimidin-2-yl]propan-2-amine
SMILESC=C(NCc1ccc(F)cc1)C1=C(C)C(=C)N(C)C(C(C)(C)N)=N1
InChIInChI=1S/C19H25FN4/c1-12-14(3)24(6)18(19(4,5)21)23-17(12)13(2)22-11-15-7-9-16(20)10-8-15/h7-10,22H,2-3,11,21H2,1,4-6H3
InChIKeyAAXQHCNBCYPSLD-UHFFFAOYSA-N
XLogP3.30
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]-1,5-dimethyl-6-methylidenepyrimidin-2-yl]propan-2-amine with MolForge

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Related Compounds

CID 44419881
CID 44419881
N-tert-butyl-7-phenyl-2,3-dihydro-1H-1,4-diazepin-5-amine
CID 334449
N-tert-butyl-7-(4-methylphenyl)-2,3-dihydro-1H-1,4-diazepin-5-amine
CID 12834603
2-(3-fluorophenyl)-4,5-dihydro-1H-Imidazole
CID 21819953
2-(3-fluoro-4-methylphenyl)-4,5-dihydro-1H-imidazole
CID 44269128
2-(2-fluorophenyl)-4,5-dihydro-1H-Imidazole
CID 12191520
CID 44419840
CID 44419840
4-[5-(tert-butylamino)-2,3-dihydro-1H-1,4-diazepin-7-yl]benzonitrile
CID 44419853
N-tert-butyl-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-1,4-diazepin-5-amine
CID 44419860
N-(2,2-dimethylpropyl)-7-(2-fluorophenyl)-2,3-dihydro-1H-1,4-diazepin-5-amine
CID 44419865
CID 44419866
CID 44419866
CID 44419867
CID 44419867

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]-1,5-dimethyl-6-methylidenepyrimidin-2-yl]propan-2-amine?
The IUPAC name of 2-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]-1,5-dimethyl-6-methylidenepyrimidin-2-yl]propan-2-amine (CID 137381235) is 2-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]-1,5-dimethyl-6-methylidenepyrimidin-2-yl]propan-2-amine.
What is the SMILES notation for 2-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]-1,5-dimethyl-6-methylidenepyrimidin-2-yl]propan-2-amine?
The canonical SMILES for 2-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]-1,5-dimethyl-6-methylidenepyrimidin-2-yl]propan-2-amine is C=C(NCc1ccc(F)cc1)C1=C(C)C(=C)N(C)C(C(C)(C)N)=N1.
What is the InChIKey of 2-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]-1,5-dimethyl-6-methylidenepyrimidin-2-yl]propan-2-amine?
The InChIKey is AAXQHCNBCYPSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4/c1-12-14(3)24(6)18(19(4,5)21)23-17(12)13(2)22-11-15-7-9-16(20)10-8-15/h7-10,22H,2-3,11,21H2,1,4-6H3.
What are the key properties of 2-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]-1,5-dimethyl-6-methylidenepyrimidin-2-yl]propan-2-amine?
2-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]-1,5-dimethyl-6-methylidenepyrimidin-2-yl]propan-2-amine has a molecular weight of 328.44 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[(4-fluorophenyl)methylamino]ethenyl]-1,5-dimethyl-6-methylidenepyrimidin-2-yl]propan-2-amine is sourced from PubChem (CID 137381235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).