4-amino-1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrimidin-2-one

C13H14N4O3 — CID 174553497

IUPAC4-amino-1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrimidin-2-one
SMILESNc1ccn(C(=O)C(N)Cc2ccc(O)cc2)c(=O)n1
InChIInChI=1S/C13H14N4O3/c14-10(7-8-1-3-9(18)4-2-8)12(19)17-6-5-11(15)16-13(17)20/h1-6,10,18H,7,14H2,(H2,15,16,20)
InChIKeySBPAOGPLIVLJCH-UHFFFAOYSA-N
MW274.28 g/mol
LogP-0.26
Rot. Bonds3

About 4-amino-1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrimidin-2-one

4-amino-1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrimidin-2-one (PubChem CID 174553497) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 4-amino-1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrimidin-2-one
PubChem CID174553497
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name4-amino-1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrimidin-2-one
SMILESNc1ccn(C(=O)C(N)Cc2ccc(O)cc2)c(=O)n1
InChIInChI=1S/C13H14N4O3/c14-10(7-8-1-3-9(18)4-2-8)12(19)17-6-5-11(15)16-13(17)20/h1-6,10,18H,7,14H2,(H2,15,16,20)
InChIKeySBPAOGPLIVLJCH-UHFFFAOYSA-N
XLogP-0.26
TPSA124.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide
CID 87135815
2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane
CID 175006953
(2R)-2-amino-3-(4-hydroxyphenyl)propanamide
CID 10511575
(2S)-2-amino-3-(4-hydroxy(3,5-13C2)cyclohexa-1,3,5-trien-1-yl)propanoic acid
CID 162642143
(2S)-2-amino-1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-(4-hydroxyphenyl)propan-1-one
CID 107220612
2-amino-1-(azocan-1-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 76891869
(2S)-2-amino-1-(azocan-1-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 61148035
4-amino-1-prop-1-en-2-ylpyrimidin-2-one
CID 145434228
bromo (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
CID 56980612
methyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 144819630
[(4S)-4-(4-amino-2-oxopyrimidin-1-yl)-4-cyano-2,3-dihydroxycyclopenten-1-yl]methyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate
CID 165408618
2-amino-3-(4-hydroxyphenyl)propanamide;hydrobromide
CID 174991066

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrimidin-2-one (CID 174553497) is 4-amino-1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrimidin-2-one is Nc1ccn(C(=O)C(N)Cc2ccc(O)cc2)c(=O)n1.
What is the InChIKey of 4-amino-1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrimidin-2-one?
The InChIKey is SBPAOGPLIVLJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c14-10(7-8-1-3-9(18)4-2-8)12(19)17-6-5-11(15)16-13(17)20/h1-6,10,18H,7,14H2,(H2,15,16,20).
What are the key properties of 4-amino-1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrimidin-2-one?
4-amino-1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrimidin-2-one has a molecular weight of 274.28 g/mol, XLogP of -0.26, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrimidin-2-one is sourced from PubChem (CID 174553497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).