4-amino-1-[4-[2-[[(3R)-3-aminocyclopentyl]-ethylamino]propyl]phenyl]pyrimidin-2-one

C20H29N5O — CID 168747843

IUPAC4-amino-1-[4-[2-[[(3R)-3-aminocyclopentyl]-ethylamino]propyl]phenyl]pyrimidin-2-one
SMILESCCN(C(C)Cc1ccc(-n2ccc(N)nc2=O)cc1)C1CC[C@@H](N)C1
InChIInChI=1S/C20H29N5O/c1-3-24(18-9-6-16(21)13-18)14(2)12-15-4-7-17(8-5-15)25-11-10-19(22)23-20(25)26/h4-5,7-8,10-11,14,16,18H,3,6,9,12-13,21H2,1-2H3,(H2,22,23,26)/t14?,16-,18?/m1/s1
InChIKeyXFNRJMMGUYFGPH-BFHRDPOASA-N
MW355.49 g/mol
LogP1.95
Rot. Bonds6

About 4-amino-1-[4-[2-[[(3R)-3-aminocyclopentyl]-ethylamino]propyl]phenyl]pyrimidin-2-one

4-amino-1-[4-[2-[[(3R)-3-aminocyclopentyl]-ethylamino]propyl]phenyl]pyrimidin-2-one (PubChem CID 168747843) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 4-amino-1-[4-[2-[[(3R)-3-aminocyclopentyl]-ethylamino]propyl]phenyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[4-[2-[[(3R)-3-aminocyclopentyl]-ethylamino]propyl]phenyl]pyrimidin-2-one
PubChem CID168747843
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name4-amino-1-[4-[2-[[(3R)-3-aminocyclopentyl]-ethylamino]propyl]phenyl]pyrimidin-2-one
SMILESCCN(C(C)Cc1ccc(-n2ccc(N)nc2=O)cc1)C1CC[C@@H](N)C1
InChIInChI=1S/C20H29N5O/c1-3-24(18-9-6-16(21)13-18)14(2)12-15-4-7-17(8-5-15)25-11-10-19(22)23-20(25)26/h4-5,7-8,10-11,14,16,18H,3,6,9,12-13,21H2,1-2H3,(H2,22,23,26)/t14?,16-,18?/m1/s1
InChIKeyXFNRJMMGUYFGPH-BFHRDPOASA-N
XLogP1.95
TPSA90.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-1-[4-[[[(1S,3S)-3-aminocyclopentyl]-ethylamino]methyl]phenyl]pyrimidin-2-one
CID 168747626
4-amino-1-[4-[[[(1S)-3-aminocyclopentyl]-ethylamino]methyl]phenyl]pyrimidin-2-one
CID 154651541
1-[4-[2-[[(1S,3R)-3-aminocyclopentyl]-methylamino]propyl]phenyl]-4-(methylamino)pyrimidin-2-one
CID 154651621
4-amino-1-[4-[2-[(6-aminospiro[3.3]heptan-2-yl)-methylamino]propyl]phenyl]pyrimidin-2-one
CID 154650425
4-amino-1-[4-(2-aminopropyl)phenyl]pyrimidin-2-one;cyclopentanamine
CID 154652181
4-amino-1-[4-[[[(3S,5R)-3,5-diaminocyclohexyl]-methylamino]methyl]phenyl]pyrimidin-2-one
CID 168747831
4-amino-1-[4-[[[(3R,5S)-3,5-diaminocyclohexyl]amino]methyl]phenyl]pyrimidin-2-one
CID 168747797
4-amino-1-[4-[2-[(1S,5R)-6-(methylaminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]butyl]phenyl]pyrimidin-2-one
CID 154651016
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-[2-[[3-(aminomethyl)-1-bicyclo[1.1.1]pentanyl]amino]propyl]phenyl]pyrimidin-2-one
CID 167383386
4-amino-1-[4-[1-[(4S)-4-aminoazepan-1-yl]propan-2-yl]phenyl]pyrimidin-2-one
CID 154651795
4-amino-1-[4-[2-[(4-aminocyclohexyl)amino]propyl]-3-fluorophenyl]pyrimidin-2-one
CID 155006347

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-[2-[[(3R)-3-aminocyclopentyl]-ethylamino]propyl]phenyl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[4-[2-[[(3R)-3-aminocyclopentyl]-ethylamino]propyl]phenyl]pyrimidin-2-one (CID 168747843) is 4-amino-1-[4-[2-[[(3R)-3-aminocyclopentyl]-ethylamino]propyl]phenyl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[4-[2-[[(3R)-3-aminocyclopentyl]-ethylamino]propyl]phenyl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[4-[2-[[(3R)-3-aminocyclopentyl]-ethylamino]propyl]phenyl]pyrimidin-2-one is CCN(C(C)Cc1ccc(-n2ccc(N)nc2=O)cc1)C1CC[C@@H](N)C1.
What is the InChIKey of 4-amino-1-[4-[2-[[(3R)-3-aminocyclopentyl]-ethylamino]propyl]phenyl]pyrimidin-2-one?
The InChIKey is XFNRJMMGUYFGPH-BFHRDPOASA-N. The full InChI is InChI=1S/C20H29N5O/c1-3-24(18-9-6-16(21)13-18)14(2)12-15-4-7-17(8-5-15)25-11-10-19(22)23-20(25)26/h4-5,7-8,10-11,14,16,18H,3,6,9,12-13,21H2,1-2H3,(H2,22,23,26)/t14?,16-,18?/m1/s1.
What are the key properties of 4-amino-1-[4-[2-[[(3R)-3-aminocyclopentyl]-ethylamino]propyl]phenyl]pyrimidin-2-one?
4-amino-1-[4-[2-[[(3R)-3-aminocyclopentyl]-ethylamino]propyl]phenyl]pyrimidin-2-one has a molecular weight of 355.49 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-[2-[[(3R)-3-aminocyclopentyl]-ethylamino]propyl]phenyl]pyrimidin-2-one is sourced from PubChem (CID 168747843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).