1-[(4-methylmorpholin-2-yl)methyl]-2,4-dioxopyrimidine-5-carbonitrile

C11H14N4O3 — CID 79876646

IUPAC1-[(4-methylmorpholin-2-yl)methyl]-2,4-dioxopyrimidine-5-carbonitrile
SMILESCN1CCOC(Cn2cc(C#N)c(=O)[nH]c2=O)C1
InChIInChI=1S/C11H14N4O3/c1-14-2-3-18-9(6-14)7-15-5-8(4-12)10(16)13-11(15)17/h5,9H,2-3,6-7H2,1H3,(H,13,16,17)
InChIKeyROMSZTXWNINOCN-UHFFFAOYSA-N
MW250.26 g/mol
LogP-1.26
Rot. Bonds2

About 1-[(4-methylmorpholin-2-yl)methyl]-2,4-dioxopyrimidine-5-carbonitrile

1-[(4-methylmorpholin-2-yl)methyl]-2,4-dioxopyrimidine-5-carbonitrile (PubChem CID 79876646) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 1-[(4-methylmorpholin-2-yl)methyl]-2,4-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1-[(4-methylmorpholin-2-yl)methyl]-2,4-dioxopyrimidine-5-carbonitrile
PubChem CID79876646
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name1-[(4-methylmorpholin-2-yl)methyl]-2,4-dioxopyrimidine-5-carbonitrile
SMILESCN1CCOC(Cn2cc(C#N)c(=O)[nH]c2=O)C1
InChIInChI=1S/C11H14N4O3/c1-14-2-3-18-9(6-14)7-15-5-8(4-12)10(16)13-11(15)17/h5,9H,2-3,6-7H2,1H3,(H,13,16,17)
InChIKeyROMSZTXWNINOCN-UHFFFAOYSA-N
XLogP-1.26
TPSA91.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-1.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-Morpholinylmethyl)-2,4-pyrimidinediol
CID 235247
5-[(2,2-dimethylmorpholin-4-yl)carbonyl]-1-methylpyrimidine-2,4(1H,3H)-dione
CID 90648187
4-(2-Ethylmorpholin-4-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 71898854
6-Methyl-1-[3-(4-morpholinyl)propyl]-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile
CID 145921997
1-[6-(Aminomethyl)morpholin-2-yl]-5-methylpyrimidine-2,4-dione
CID 71036899
1-Morpholino-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile
CID 2763618
1-(2-Methoxyethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
CID 2765654
1,3-Dimethyl-6-(morpholin-4-yl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
CID 17511601
1,3-Dimethyl-4-(2-morpholin-4-ylethylamino)-2,6-dioxopyrimidine-5-carbonitrile
CID 17558552
3-[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethyl]-1-ethyl-2,4-dioxopyrimidine-5-carbonitrile
CID 18140228
1-Ethyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-2,4-dioxopyrimidine-5-carbonitrile
CID 18140272
6-morpholin-4-yl-2,4-dioxo-1H-pyrimidine-5-carbonitrile
CID 21780323

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylmorpholin-2-yl)methyl]-2,4-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 1-[(4-methylmorpholin-2-yl)methyl]-2,4-dioxopyrimidine-5-carbonitrile (CID 79876646) is 1-[(4-methylmorpholin-2-yl)methyl]-2,4-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 1-[(4-methylmorpholin-2-yl)methyl]-2,4-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 1-[(4-methylmorpholin-2-yl)methyl]-2,4-dioxopyrimidine-5-carbonitrile is CN1CCOC(Cn2cc(C#N)c(=O)[nH]c2=O)C1.
What is the InChIKey of 1-[(4-methylmorpholin-2-yl)methyl]-2,4-dioxopyrimidine-5-carbonitrile?
The InChIKey is ROMSZTXWNINOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-14-2-3-18-9(6-14)7-15-5-8(4-12)10(16)13-11(15)17/h5,9H,2-3,6-7H2,1H3,(H,13,16,17).
What are the key properties of 1-[(4-methylmorpholin-2-yl)methyl]-2,4-dioxopyrimidine-5-carbonitrile?
1-[(4-methylmorpholin-2-yl)methyl]-2,4-dioxopyrimidine-5-carbonitrile has a molecular weight of 250.26 g/mol, XLogP of -1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylmorpholin-2-yl)methyl]-2,4-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 79876646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).