4-amino-1-[4-(2-aminopropyl)phenyl]pyrimidin-2-one;cyclopentanamine

C18H27N5O — CID 154652181

IUPAC4-amino-1-[4-(2-aminopropyl)phenyl]pyrimidin-2-one;cyclopentanamine
SMILESCC(N)Cc1ccc(-n2ccc(N)nc2=O)cc1.NC1CCCC1
InChIInChI=1S/C13H16N4O.C5H11N/c1-9(14)8-10-2-4-11(5-3-10)17-7-6-12(15)16-13(17)18;6-5-3-1-2-4-5/h2-7,9H,8,14H2,1H3,(H2,15,16,18);5H,1-4,6H2
InChIKeyFXHYALQVGBXFES-UHFFFAOYSA-N
MW329.45 g/mol
LogP1.59
Rot. Bonds3

About 4-amino-1-[4-(2-aminopropyl)phenyl]pyrimidin-2-one;cyclopentanamine

4-amino-1-[4-(2-aminopropyl)phenyl]pyrimidin-2-one;cyclopentanamine (PubChem CID 154652181) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 4-amino-1-[4-(2-aminopropyl)phenyl]pyrimidin-2-one;cyclopentanamine.

Molecular Properties

Compound Name4-amino-1-[4-(2-aminopropyl)phenyl]pyrimidin-2-one;cyclopentanamine
PubChem CID154652181
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name4-amino-1-[4-(2-aminopropyl)phenyl]pyrimidin-2-one;cyclopentanamine
SMILESCC(N)Cc1ccc(-n2ccc(N)nc2=O)cc1.NC1CCCC1
InChIInChI=1S/C13H16N4O.C5H11N/c1-9(14)8-10-2-4-11(5-3-10)17-7-6-12(15)16-13(17)18;6-5-3-1-2-4-5/h2-7,9H,8,14H2,1H3,(H2,15,16,18);5H,1-4,6H2
InChIKeyFXHYALQVGBXFES-UHFFFAOYSA-N
XLogP1.59
TPSA112.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-1-[4-[2-[[(3R)-3-aminocyclopentyl]-ethylamino]propyl]phenyl]pyrimidin-2-one
CID 168747843
4-amino-1-[4-[1-[(4S)-4-aminoazepan-1-yl]propan-2-yl]phenyl]pyrimidin-2-one
CID 154651795
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,5R)-6-(1-aminoethyl)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]pyrimidin-2-one
CID 155006255
4-amino-1-[4-[[[(3S,5R)-3,5-diaminocyclohexyl]-methylamino]methyl]phenyl]pyrimidin-2-one
CID 168747831
2-amino-3-[4-(4-amino-2-oxopyrimidin-1-yl)phenyl]-N-(azetidin-3-yl)propanamide
CID 154652495
4-amino-1-[4-[[[(3R,5S)-3,5-diaminocyclohexyl]amino]methyl]phenyl]pyrimidin-2-one
CID 168747797
4-amino-1-[4-[[[(1S,3S)-3-aminocyclopentyl]-ethylamino]methyl]phenyl]pyrimidin-2-one
CID 168747626
4-amino-1-[4-[2-[[3-(aminomethyl)-1-bicyclo[1.1.1]pentanyl]amino]propyl]phenyl]pyrimidin-2-one
CID 167383386
4-amino-1-[4-[[[(1S)-3-aminocyclopentyl]-ethylamino]methyl]phenyl]pyrimidin-2-one
CID 154651541
4-amino-1-[4-[2-[(4-aminocyclohexyl)amino]propyl]-3-fluorophenyl]pyrimidin-2-one
CID 155006347
4-amino-1-[4-[1-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]phenyl]pyrimidin-2-one
CID 154650525

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-(2-aminopropyl)phenyl]pyrimidin-2-one;cyclopentanamine?
The IUPAC name of 4-amino-1-[4-(2-aminopropyl)phenyl]pyrimidin-2-one;cyclopentanamine (CID 154652181) is 4-amino-1-[4-(2-aminopropyl)phenyl]pyrimidin-2-one;cyclopentanamine.
What is the SMILES notation for 4-amino-1-[4-(2-aminopropyl)phenyl]pyrimidin-2-one;cyclopentanamine?
The canonical SMILES for 4-amino-1-[4-(2-aminopropyl)phenyl]pyrimidin-2-one;cyclopentanamine is CC(N)Cc1ccc(-n2ccc(N)nc2=O)cc1.NC1CCCC1.
What is the InChIKey of 4-amino-1-[4-(2-aminopropyl)phenyl]pyrimidin-2-one;cyclopentanamine?
The InChIKey is FXHYALQVGBXFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O.C5H11N/c1-9(14)8-10-2-4-11(5-3-10)17-7-6-12(15)16-13(17)18;6-5-3-1-2-4-5/h2-7,9H,8,14H2,1H3,(H2,15,16,18);5H,1-4,6H2.
What are the key properties of 4-amino-1-[4-(2-aminopropyl)phenyl]pyrimidin-2-one;cyclopentanamine?
4-amino-1-[4-(2-aminopropyl)phenyl]pyrimidin-2-one;cyclopentanamine has a molecular weight of 329.45 g/mol, XLogP of 1.59, 3 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-aminopropyl)phenyl]pyrimidin-2-one;cyclopentanamine is sourced from PubChem (CID 154652181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).