4-amino-1-[4-[2-[[3-(aminomethyl)-1-bicyclo[1.1.1]pentanyl]amino]propyl]phenyl]pyrimidin-2-one

C19H25N5O — CID 167383386

IUPAC4-amino-1-[4-[2-[[3-(aminomethyl)-1-bicyclo[1.1.1]pentanyl]amino]propyl]phenyl]pyrimidin-2-one
SMILESCC(Cc1ccc(-n2ccc(N)nc2=O)cc1)NC12CC(CN)(C1)C2
InChIInChI=1S/C19H25N5O/c1-13(23-19-9-18(10-19,11-19)12-20)8-14-2-4-15(5-3-14)24-7-6-16(21)22-17(24)25/h2-7,13,23H,8-12,20H2,1H3,(H2,21,22,25)
InChIKeyOCHQWXQQMJZTRO-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.22
Rot. Bonds6

About 4-amino-1-[4-[2-[[3-(aminomethyl)-1-bicyclo[1.1.1]pentanyl]amino]propyl]phenyl]pyrimidin-2-one

4-amino-1-[4-[2-[[3-(aminomethyl)-1-bicyclo[1.1.1]pentanyl]amino]propyl]phenyl]pyrimidin-2-one (PubChem CID 167383386) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-amino-1-[4-[2-[[3-(aminomethyl)-1-bicyclo[1.1.1]pentanyl]amino]propyl]phenyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[4-[2-[[3-(aminomethyl)-1-bicyclo[1.1.1]pentanyl]amino]propyl]phenyl]pyrimidin-2-one
PubChem CID167383386
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name4-amino-1-[4-[2-[[3-(aminomethyl)-1-bicyclo[1.1.1]pentanyl]amino]propyl]phenyl]pyrimidin-2-one
SMILESCC(Cc1ccc(-n2ccc(N)nc2=O)cc1)NC12CC(CN)(C1)C2
InChIInChI=1S/C19H25N5O/c1-13(23-19-9-18(10-19,11-19)12-20)8-14-2-4-15(5-3-14)24-7-6-16(21)22-17(24)25/h2-7,13,23H,8-12,20H2,1H3,(H2,21,22,25)
InChIKeyOCHQWXQQMJZTRO-UHFFFAOYSA-N
XLogP1.22
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-amino-1-[4-[2-[[3-(aminomethyl)-1-bicyclo[1.1.1]pentanyl]amino]propyl]phenyl]pyrimidin-2-one with MolForge

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Related Compounds

4-amino-1-[4-(2-aminopropyl)phenyl]pyrimidin-2-one;cyclopentanamine
CID 154652181
4-amino-1-[4-[[(4-amino-1-bicyclo[2.2.2]octanyl)amino]methyl]phenyl]pyrimidin-2-one
CID 155006351
4-amino-1-[4-[2-[(6-aminospiro[3.3]heptan-2-yl)-methylamino]propyl]phenyl]pyrimidin-2-one
CID 154650425
2-amino-3-[4-(4-amino-2-oxopyrimidin-1-yl)phenyl]-N-(azetidin-3-yl)propanamide
CID 154652495
4-amino-1-[4-[2-[[(3R)-3-aminocyclopentyl]-ethylamino]propyl]phenyl]pyrimidin-2-one
CID 168747843
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-[(1S,5R)-6-(methylaminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]butyl]phenyl]pyrimidin-2-one
CID 154651016
methyl (2R)-3-[4-(4-amino-2-oxopyrimidin-1-yl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 154651983
4-amino-1-[4-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)phenyl]pyrimidin-2-one
CID 167383261
4-amino-1-[4-[[[(3R,5S)-3,5-diaminocyclohexyl]amino]methyl]phenyl]pyrimidin-2-one
CID 168747797
4-amino-1-[4-[[(1R,5S)-6-(methylaminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]pyrimidin-2-one
CID 167383259
4-amino-1-[4-[[[(3S,5R)-3,5-diaminocyclohexyl]-methylamino]methyl]phenyl]pyrimidin-2-one
CID 168747831

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-[2-[[3-(aminomethyl)-1-bicyclo[1.1.1]pentanyl]amino]propyl]phenyl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[4-[2-[[3-(aminomethyl)-1-bicyclo[1.1.1]pentanyl]amino]propyl]phenyl]pyrimidin-2-one (CID 167383386) is 4-amino-1-[4-[2-[[3-(aminomethyl)-1-bicyclo[1.1.1]pentanyl]amino]propyl]phenyl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[4-[2-[[3-(aminomethyl)-1-bicyclo[1.1.1]pentanyl]amino]propyl]phenyl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[4-[2-[[3-(aminomethyl)-1-bicyclo[1.1.1]pentanyl]amino]propyl]phenyl]pyrimidin-2-one is CC(Cc1ccc(-n2ccc(N)nc2=O)cc1)NC12CC(CN)(C1)C2.
What is the InChIKey of 4-amino-1-[4-[2-[[3-(aminomethyl)-1-bicyclo[1.1.1]pentanyl]amino]propyl]phenyl]pyrimidin-2-one?
The InChIKey is OCHQWXQQMJZTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-13(23-19-9-18(10-19,11-19)12-20)8-14-2-4-15(5-3-14)24-7-6-16(21)22-17(24)25/h2-7,13,23H,8-12,20H2,1H3,(H2,21,22,25).
What are the key properties of 4-amino-1-[4-[2-[[3-(aminomethyl)-1-bicyclo[1.1.1]pentanyl]amino]propyl]phenyl]pyrimidin-2-one?
4-amino-1-[4-[2-[[3-(aminomethyl)-1-bicyclo[1.1.1]pentanyl]amino]propyl]phenyl]pyrimidin-2-one has a molecular weight of 339.44 g/mol, XLogP of 1.22, 6 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-[[3-(aminomethyl)-1-bicyclo[1.1.1]pentanyl]amino]propyl]phenyl]pyrimidin-2-one is sourced from PubChem (CID 167383386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).