2-amino-5-[(5-ethanehydrazonoyl-2-methoxyphenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one

C14H17N5O3 — CID 5413798

IUPAC2-amino-5-[(5-ethanehydrazonoyl-2-methoxyphenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESCOc1ccc(/C(C)=N\N)cc1Cc1c(O)nc(N)[nH]c1=O
InChIInChI=1S/C14H17N5O3/c1-7(19-16)8-3-4-11(22-2)9(5-8)6-10-12(20)17-14(15)18-13(10)21/h3-5H,6,16H2,1-2H3,(H4,15,17,18,20,21)/b19-7-
InChIKeyPZVWZWNCPPFVFE-GXHLCREISA-N
MW303.32 g/mol
LogP0.34
Rot. Bonds4

About 2-amino-5-[(5-ethanehydrazonoyl-2-methoxyphenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one

2-amino-5-[(5-ethanehydrazonoyl-2-methoxyphenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 5413798) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-amino-5-[(5-ethanehydrazonoyl-2-methoxyphenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-[(5-ethanehydrazonoyl-2-methoxyphenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one
PubChem CID5413798
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Name2-amino-5-[(5-ethanehydrazonoyl-2-methoxyphenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESCOc1ccc(/C(C)=N\N)cc1Cc1c(O)nc(N)[nH]c1=O
InChIInChI=1S/C14H17N5O3/c1-7(19-16)8-3-4-11(22-2)9(5-8)6-10-12(20)17-14(15)18-13(10)21/h3-5H,6,16H2,1-2H3,(H4,15,17,18,20,21)/b19-7-
InChIKeyPZVWZWNCPPFVFE-GXHLCREISA-N
XLogP0.34
TPSA139.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[(5-acetyl-2-methoxyphenyl)methyl]-2-amino-4-hydroxy-1H-pyrimidin-6-one
CID 869185
2-amino-4-hydroxy-5-[(3-methyl-4-propan-2-yloxyphenyl)methyl]-1H-pyrimidin-6-one
CID 905989
(Z)-1-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]ethylidenehydrazine
CID 7250182
(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylidenehydrazine
CID 7441652
4-[3-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propyl]benzoic acid
CID 3382960
4-[(5-acetyl-2-methoxyphenyl)methyl]-3,5,8,10,13-pentazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 167753168
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetamide
CID 9177323
2-(3-bromo-4-methoxyphenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 63611790
2-(3-chloro-4-methoxyphenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 65022382
2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one
CID 135437374
1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanone
CID 4689851
2-(5-acetyl-2-methoxyphenyl)acetic acid
CID 2535148

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(5-ethanehydrazonoyl-2-methoxyphenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-[(5-ethanehydrazonoyl-2-methoxyphenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one (CID 5413798) is 2-amino-5-[(5-ethanehydrazonoyl-2-methoxyphenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-[(5-ethanehydrazonoyl-2-methoxyphenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-[(5-ethanehydrazonoyl-2-methoxyphenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one is COc1ccc(/C(C)=N\N)cc1Cc1c(O)nc(N)[nH]c1=O.
What is the InChIKey of 2-amino-5-[(5-ethanehydrazonoyl-2-methoxyphenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is PZVWZWNCPPFVFE-GXHLCREISA-N. The full InChI is InChI=1S/C14H17N5O3/c1-7(19-16)8-3-4-11(22-2)9(5-8)6-10-12(20)17-14(15)18-13(10)21/h3-5H,6,16H2,1-2H3,(H4,15,17,18,20,21)/b19-7-.
What are the key properties of 2-amino-5-[(5-ethanehydrazonoyl-2-methoxyphenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one?
2-amino-5-[(5-ethanehydrazonoyl-2-methoxyphenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 303.32 g/mol, XLogP of 0.34, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(5-ethanehydrazonoyl-2-methoxyphenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 5413798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).