4-amino-1-[4-[1-[(4S)-4-aminoazepan-1-yl]propan-2-yl]phenyl]pyrimidin-2-one

C19H27N5O — CID 154651795

IUPAC4-amino-1-[4-[1-[(4S)-4-aminoazepan-1-yl]propan-2-yl]phenyl]pyrimidin-2-one
SMILESCC(CN1CCC[C@H](N)CC1)c1ccc(-n2ccc(N)nc2=O)cc1
InChIInChI=1S/C19H27N5O/c1-14(13-23-10-2-3-16(20)8-11-23)15-4-6-17(7-5-15)24-12-9-18(21)22-19(24)25/h4-7,9,12,14,16H,2-3,8,10-11,13,20H2,1H3,(H2,21,22,25)/t14?,16-/m0/s1
InChIKeyRWUWOAFJCOURIT-WMCAAGNKSA-N
MW341.46 g/mol
LogP1.73
Rot. Bonds4

About 4-amino-1-[4-[1-[(4S)-4-aminoazepan-1-yl]propan-2-yl]phenyl]pyrimidin-2-one

4-amino-1-[4-[1-[(4S)-4-aminoazepan-1-yl]propan-2-yl]phenyl]pyrimidin-2-one (PubChem CID 154651795) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 4-amino-1-[4-[1-[(4S)-4-aminoazepan-1-yl]propan-2-yl]phenyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[4-[1-[(4S)-4-aminoazepan-1-yl]propan-2-yl]phenyl]pyrimidin-2-one
PubChem CID154651795
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name4-amino-1-[4-[1-[(4S)-4-aminoazepan-1-yl]propan-2-yl]phenyl]pyrimidin-2-one
SMILESCC(CN1CCC[C@H](N)CC1)c1ccc(-n2ccc(N)nc2=O)cc1
InChIInChI=1S/C19H27N5O/c1-14(13-23-10-2-3-16(20)8-11-23)15-4-6-17(7-5-15)24-12-9-18(21)22-19(24)25/h4-7,9,12,14,16H,2-3,8,10-11,13,20H2,1H3,(H2,21,22,25)/t14?,16-/m0/s1
InChIKeyRWUWOAFJCOURIT-WMCAAGNKSA-N
XLogP1.73
TPSA90.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-amino-1-[4-[1-[(4S)-4-aminoazepan-1-yl]propan-2-yl]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-[1-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]phenyl]pyrimidin-2-one
CID 154650525
N-[1-[4-[1-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]propan-2-yl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide
CID 154651457
4-amino-1-[4-[2-[(4-aminocyclohexyl)amino]propyl]-3-fluorophenyl]pyrimidin-2-one
CID 155006347
[4-[1-(4-aminopiperidin-1-yl)propan-2-yl]phenyl]-phenylmethanone
CID 12802930
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
N-[1-[4-[2-(4-aminoazepan-1-yl)ethyl]phenyl]-2-oxopyrimidin-4-yl]-4-[(2S)-2-amino-3-methylbutanoyl]piperazine-1-carboxamide;hydrochloride
CID 162716187
4-amino-1-[4-[(3-amino-7-azaspiro[3.5]nonan-7-yl)methyl]phenyl]pyrimidin-2-one
CID 154650380
4-amino-1-[4-[[[(3S,5R)-3,5-diaminocyclohexyl]-methylamino]methyl]phenyl]pyrimidin-2-one
CID 168747831
1-[4-[2-(4-aminoazepan-1-yl)ethyl]phenyl]-4-piperazin-1-ylpyrimidin-2-one;formamide
CID 154652398
4-amino-1-[4-[1-(azetidin-3-ylamino)propan-2-yloxy]phenyl]pyrimidin-2-one
CID 154652348

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-[1-[(4S)-4-aminoazepan-1-yl]propan-2-yl]phenyl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[4-[1-[(4S)-4-aminoazepan-1-yl]propan-2-yl]phenyl]pyrimidin-2-one (CID 154651795) is 4-amino-1-[4-[1-[(4S)-4-aminoazepan-1-yl]propan-2-yl]phenyl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[4-[1-[(4S)-4-aminoazepan-1-yl]propan-2-yl]phenyl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[4-[1-[(4S)-4-aminoazepan-1-yl]propan-2-yl]phenyl]pyrimidin-2-one is CC(CN1CCC[C@H](N)CC1)c1ccc(-n2ccc(N)nc2=O)cc1.
What is the InChIKey of 4-amino-1-[4-[1-[(4S)-4-aminoazepan-1-yl]propan-2-yl]phenyl]pyrimidin-2-one?
The InChIKey is RWUWOAFJCOURIT-WMCAAGNKSA-N. The full InChI is InChI=1S/C19H27N5O/c1-14(13-23-10-2-3-16(20)8-11-23)15-4-6-17(7-5-15)24-12-9-18(21)22-19(24)25/h4-7,9,12,14,16H,2-3,8,10-11,13,20H2,1H3,(H2,21,22,25)/t14?,16-/m0/s1.
What are the key properties of 4-amino-1-[4-[1-[(4S)-4-aminoazepan-1-yl]propan-2-yl]phenyl]pyrimidin-2-one?
4-amino-1-[4-[1-[(4S)-4-aminoazepan-1-yl]propan-2-yl]phenyl]pyrimidin-2-one has a molecular weight of 341.46 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-[1-[(4S)-4-aminoazepan-1-yl]propan-2-yl]phenyl]pyrimidin-2-one is sourced from PubChem (CID 154651795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).