4-methyl-2-(3-methylmorpholin-4-yl)-5-nitro-1H-pyrimidin-6-one

C10H14N4O4 — CID 135767920

IUPAC4-methyl-2-(3-methylmorpholin-4-yl)-5-nitro-1H-pyrimidin-6-one
SMILESCc1nc(N2CCOCC2C)[nH]c(=O)c1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O4/c1-6-5-18-4-3-13(6)10-11-7(2)8(14(16)17)9(15)12-10/h6H,3-5H2,1-2H3,(H,11,12,15)
InChIKeyPELVJQONXYEVSM-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.21
Rot. Bonds2

About 4-methyl-2-(3-methylmorpholin-4-yl)-5-nitro-1H-pyrimidin-6-one

4-methyl-2-(3-methylmorpholin-4-yl)-5-nitro-1H-pyrimidin-6-one (PubChem CID 135767920) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is 4-methyl-2-(3-methylmorpholin-4-yl)-5-nitro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-(3-methylmorpholin-4-yl)-5-nitro-1H-pyrimidin-6-one
PubChem CID135767920
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name4-methyl-2-(3-methylmorpholin-4-yl)-5-nitro-1H-pyrimidin-6-one
SMILESCc1nc(N2CCOCC2C)[nH]c(=O)c1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O4/c1-6-5-18-4-3-13(6)10-11-7(2)8(14(16)17)9(15)12-10/h6H,3-5H2,1-2H3,(H,11,12,15)
InChIKeyPELVJQONXYEVSM-UHFFFAOYSA-N
XLogP0.21
TPSA101.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-Methyl-2-(morpholin-4-yl)-5-nitropyrimidin-4-ol
CID 135491613
6-Amino-3-methyl-2-(morpholin-4-yl)-5-nitrosopyrimidin-4(3h)-one
CID 91132632
3-Morpholinomethyl-5-nitro-6-methyluracil
CID 129869791
6-Amino-2-morpholin-4-yl-5-nitrosopyrimidin-4-ol
CID 136185846
6-Methyl-2-[(3S)-3-methyl-4-morpholinyl]-5-nitro-4(3H)-pyrimidinone
CID 136044542
2-[(3S)-3-ethynylmorpholin-4-yl]-4-methyl-5-nitro-1H-pyrimidin-6-one
CID 142076142
2-chloro-4-methyl-5-nitro-1H-pyrimidin-6-one;4-methyl-2-(3-methylmorpholin-4-yl)-5-nitro-1H-pyrimidin-6-one;(3S)-3-methylmorpholine
CID 160704976
2-chloro-4-methyl-5-nitro-1H-pyrimidin-6-one;4-methyl-2-[(3S)-3-methylmorpholin-4-yl]-5-nitro-1H-pyrimidin-6-one;(3S)-3-methylmorpholine
CID 160704977
2-chloro-4-methyl-5-nitro-1H-pyrimidin-6-one;methane;4-methyl-2-[(3S)-3-methylmorpholin-4-yl]-5-nitro-1H-pyrimidin-6-one;(3S)-3-methylmorpholine
CID 161140678
ethyl 2-[[2-(dimethylamino)-5-nitro-6-oxo-1H-pyrimidin-4-yl]-methylamino]acetate
CID 135444459
4-(2-morpholin-4-ylethylamino)-5-nitro-1H-pyrimidin-6-one
CID 135709667
ethyl 2-[(2-amino-5-nitro-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate
CID 135740417

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-methylmorpholin-4-yl)-5-nitro-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-(3-methylmorpholin-4-yl)-5-nitro-1H-pyrimidin-6-one (CID 135767920) is 4-methyl-2-(3-methylmorpholin-4-yl)-5-nitro-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-(3-methylmorpholin-4-yl)-5-nitro-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-(3-methylmorpholin-4-yl)-5-nitro-1H-pyrimidin-6-one is Cc1nc(N2CCOCC2C)[nH]c(=O)c1[N+](=O)[O-].
What is the InChIKey of 4-methyl-2-(3-methylmorpholin-4-yl)-5-nitro-1H-pyrimidin-6-one?
The InChIKey is PELVJQONXYEVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c1-6-5-18-4-3-13(6)10-11-7(2)8(14(16)17)9(15)12-10/h6H,3-5H2,1-2H3,(H,11,12,15).
What are the key properties of 4-methyl-2-(3-methylmorpholin-4-yl)-5-nitro-1H-pyrimidin-6-one?
4-methyl-2-(3-methylmorpholin-4-yl)-5-nitro-1H-pyrimidin-6-one has a molecular weight of 254.25 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-methylmorpholin-4-yl)-5-nitro-1H-pyrimidin-6-one is sourced from PubChem (CID 135767920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).