4-amino-1-[4-[2-[(4-aminocyclohexyl)amino]propyl]-3-fluorophenyl]pyrimidin-2-one

C19H26FN5O — CID 155006347

IUPAC4-amino-1-[4-[2-[(4-aminocyclohexyl)amino]propyl]-3-fluorophenyl]pyrimidin-2-one
SMILESCC(Cc1ccc(-n2ccc(N)nc2=O)cc1F)NC1CCC(N)CC1
InChIInChI=1S/C19H26FN5O/c1-12(23-15-5-3-14(21)4-6-15)10-13-2-7-16(11-17(13)20)25-9-8-18(22)24-19(25)26/h2,7-9,11-12,14-15,23H,3-6,10,21H2,1H3,(H2,22,24,26)
InChIKeyONMFRUQMXCGEOT-UHFFFAOYSA-N
MW359.45 g/mol
LogP1.74
Rot. Bonds5

About 4-amino-1-[4-[2-[(4-aminocyclohexyl)amino]propyl]-3-fluorophenyl]pyrimidin-2-one

4-amino-1-[4-[2-[(4-aminocyclohexyl)amino]propyl]-3-fluorophenyl]pyrimidin-2-one (PubChem CID 155006347) has the molecular formula C19H26FN5O and a molecular weight of 359.45 g/mol. Its IUPAC name is 4-amino-1-[4-[2-[(4-aminocyclohexyl)amino]propyl]-3-fluorophenyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[4-[2-[(4-aminocyclohexyl)amino]propyl]-3-fluorophenyl]pyrimidin-2-one
PubChem CID155006347
Molecular FormulaC19H26FN5O
Molecular Weight359.45 g/mol
Exact Mass359.21
IUPAC Name4-amino-1-[4-[2-[(4-aminocyclohexyl)amino]propyl]-3-fluorophenyl]pyrimidin-2-one
SMILESCC(Cc1ccc(-n2ccc(N)nc2=O)cc1F)NC1CCC(N)CC1
InChIInChI=1S/C19H26FN5O/c1-12(23-15-5-3-14(21)4-6-15)10-13-2-7-16(11-17(13)20)25-9-8-18(22)24-19(25)26/h2,7-9,11-12,14-15,23H,3-6,10,21H2,1H3,(H2,22,24,26)
InChIKeyONMFRUQMXCGEOT-UHFFFAOYSA-N
XLogP1.74
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[4-[2-[4-(4-amino-2-oxopyrimidin-1-yl)-2-fluorophenyl]ethyl]cyclohexyl]carbamate
CID 174065708
4-amino-1-[4-(2-aminopropyl)phenyl]pyrimidin-2-one;cyclopentanamine
CID 154652181
N-[1-[4-[2-[(4-aminocyclohexyl)amino]propyl]phenyl]-2-oxopyrimidin-4-yl]-4-(2-amino-2-methylpropanoyl)piperazine-1-carboxamide
CID 154650805
4-amino-1-[4-[1-[(4S)-4-aminoazepan-1-yl]propan-2-yl]phenyl]pyrimidin-2-one
CID 154651795
4-amino-1-[4-[2-[[(3R)-3-aminocyclopentyl]-ethylamino]propyl]phenyl]pyrimidin-2-one
CID 168747843
4-amino-1-[4-[2-[1-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]-3-fluorophenyl]pyrimidin-2-one
CID 155006251
N-[1-[4-[2-(4-aminoazepan-1-yl)ethyl]-3-fluorophenyl]-2-oxopyrimidin-4-yl]-4-(2-amino-2-methylpropanoyl)piperazine-1-carboxamide;hydrochloride
CID 154651507
4-N-[1-(4-fluorophenyl)propan-2-yl]cyclohexane-1,4-diamine
CID 79741782
4-amino-1-[4-[[[(3R,5S)-3,5-diaminocyclohexyl]amino]methyl]phenyl]pyrimidin-2-one
CID 168747797
N-[1-[4-[[(4-aminocyclohexyl)amino]methyl]-3-methylphenyl]-2-oxopyrimidin-4-yl]-4-(2-amino-2-methylpropanoyl)piperazine-1-carboxamide
CID 154652626
4-amino-1-[4-[2-[(6-aminospiro[3.3]heptan-2-yl)-methylamino]propyl]phenyl]pyrimidin-2-one
CID 154650425
4-amino-1-[4-[[[(1S)-3-aminocyclopentyl]-ethylamino]methyl]phenyl]pyrimidin-2-one
CID 154651541

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-[2-[(4-aminocyclohexyl)amino]propyl]-3-fluorophenyl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[4-[2-[(4-aminocyclohexyl)amino]propyl]-3-fluorophenyl]pyrimidin-2-one (CID 155006347) is 4-amino-1-[4-[2-[(4-aminocyclohexyl)amino]propyl]-3-fluorophenyl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[4-[2-[(4-aminocyclohexyl)amino]propyl]-3-fluorophenyl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[4-[2-[(4-aminocyclohexyl)amino]propyl]-3-fluorophenyl]pyrimidin-2-one is CC(Cc1ccc(-n2ccc(N)nc2=O)cc1F)NC1CCC(N)CC1.
What is the InChIKey of 4-amino-1-[4-[2-[(4-aminocyclohexyl)amino]propyl]-3-fluorophenyl]pyrimidin-2-one?
The InChIKey is ONMFRUQMXCGEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN5O/c1-12(23-15-5-3-14(21)4-6-15)10-13-2-7-16(11-17(13)20)25-9-8-18(22)24-19(25)26/h2,7-9,11-12,14-15,23H,3-6,10,21H2,1H3,(H2,22,24,26).
What are the key properties of 4-amino-1-[4-[2-[(4-aminocyclohexyl)amino]propyl]-3-fluorophenyl]pyrimidin-2-one?
4-amino-1-[4-[2-[(4-aminocyclohexyl)amino]propyl]-3-fluorophenyl]pyrimidin-2-one has a molecular weight of 359.45 g/mol, XLogP of 1.74, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-[2-[(4-aminocyclohexyl)amino]propyl]-3-fluorophenyl]pyrimidin-2-one is sourced from PubChem (CID 155006347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).