N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)nitrous amide

C5H6N4O2 — CID 137229327

IUPACN-(4-methyl-6-oxo-1H-pyrimidin-2-yl)nitrous amide
SMILESCc1cc(=O)[nH]c(NN=O)n1
InChIInChI=1S/C5H6N4O2/c1-3-2-4(10)7-5(6-3)8-9-11/h2H,1H3,(H2,6,7,8,10,11)
InChIKeyDGQQQDKENAODSJ-UHFFFAOYSA-N
MW154.13 g/mol
LogP0.17
Rot. Bonds2

About N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)nitrous amide

N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)nitrous amide (PubChem CID 137229327) has the molecular formula C5H6N4O2 and a molecular weight of 154.13 g/mol. Its IUPAC name is N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)nitrous amide.

Molecular Properties

Compound NameN-(4-methyl-6-oxo-1H-pyrimidin-2-yl)nitrous amide
PubChem CID137229327
Molecular FormulaC5H6N4O2
Molecular Weight154.13 g/mol
Exact Mass154.05
IUPAC NameN-(4-methyl-6-oxo-1H-pyrimidin-2-yl)nitrous amide
SMILESCc1cc(=O)[nH]c(NN=O)n1
InChIInChI=1S/C5H6N4O2/c1-3-2-4(10)7-5(6-3)8-9-11/h2H,1H3,(H2,6,7,8,10,11)
InChIKeyDGQQQDKENAODSJ-UHFFFAOYSA-N
XLogP0.17
TPSA87.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-[(2Z)-2-(3-oxobutan-2-ylidene)hydrazinyl]-1H-pyrimidin-6-one
CID 135460315
ethane;4-methyl-2-(methylamino)-1H-pyrimidin-6-one
CID 145166699
2-(2-butan-2-ylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one
CID 135521075
(2E)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]propanoate
CID 135593603
2-(ethylamino)-4-methyl-1H-pyrimidin-6-one
CID 135840406
2-[(2E)-2-benzylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135460312
4-methyl-2-[2-(4-methylpentan-2-ylidene)hydrazinyl]-1H-pyrimidin-6-one
CID 135435247
2-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135693146
2-[2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135465283
2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135421727
2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135509497
4-methyl-2-(pyrimidin-2-ylamino)-1H-pyrimidin-6-one
CID 137003975

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)nitrous amide?
The IUPAC name of N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)nitrous amide (CID 137229327) is N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)nitrous amide.
What is the SMILES notation for N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)nitrous amide?
The canonical SMILES for N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)nitrous amide is Cc1cc(=O)[nH]c(NN=O)n1.
What is the InChIKey of N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)nitrous amide?
The InChIKey is DGQQQDKENAODSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O2/c1-3-2-4(10)7-5(6-3)8-9-11/h2H,1H3,(H2,6,7,8,10,11).
What are the key properties of N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)nitrous amide?
N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)nitrous amide has a molecular weight of 154.13 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)nitrous amide is sourced from PubChem (CID 137229327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).