1-(3-morpholin-4-ylpropyl)-2,4-dioxopyrimidine-5-carbonitrile

C12H16N4O3 — CID 112731690

IUPAC1-(3-morpholin-4-ylpropyl)-2,4-dioxopyrimidine-5-carbonitrile
SMILESN#Cc1cn(CCCN2CCOCC2)c(=O)[nH]c1=O
InChIInChI=1S/C12H16N4O3/c13-8-10-9-16(12(18)14-11(10)17)3-1-2-15-4-6-19-7-5-15/h9H,1-7H2,(H,14,17,18)
InChIKeyCXDKHPMORRUHSK-UHFFFAOYSA-N
MW264.28 g/mol
LogP-0.87
Rot. Bonds4

About 1-(3-morpholin-4-ylpropyl)-2,4-dioxopyrimidine-5-carbonitrile

1-(3-morpholin-4-ylpropyl)-2,4-dioxopyrimidine-5-carbonitrile (PubChem CID 112731690) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 1-(3-morpholin-4-ylpropyl)-2,4-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1-(3-morpholin-4-ylpropyl)-2,4-dioxopyrimidine-5-carbonitrile
PubChem CID112731690
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name1-(3-morpholin-4-ylpropyl)-2,4-dioxopyrimidine-5-carbonitrile
SMILESN#Cc1cn(CCCN2CCOCC2)c(=O)[nH]c1=O
InChIInChI=1S/C12H16N4O3/c13-8-10-9-16(12(18)14-11(10)17)3-1-2-15-4-6-19-7-5-15/h9H,1-7H2,(H,14,17,18)
InChIKeyCXDKHPMORRUHSK-UHFFFAOYSA-N
XLogP-0.87
TPSA91.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-0.87
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
6-Methyl-1-[3-(4-morpholinyl)propyl]-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile
CID 145921997
5-(morpholine-4-carbonyl)-1H-pyrimidine-2,4-dione
CID 12848804
6-Amino-1,3-dimethyl-5-(morpholin-4-ylmethyl)pyrimidine-2,4-dione
CID 1970048
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
5-(morpholin-4-ium-4-ylmethyl)-1H-pyrimidine-2,4-dione
CID 6937599
1,3-Dimethyl-4-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2,6-dioxopyrimidine-5-carbonitrile
CID 17455267
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
1-Ethyl-3-(2-morpholin-4-yl-2-oxoethyl)-2,4-dioxopyrimidine-5-carbonitrile
CID 18140224

Frequently Asked Questions

What is the IUPAC name of 1-(3-morpholin-4-ylpropyl)-2,4-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 1-(3-morpholin-4-ylpropyl)-2,4-dioxopyrimidine-5-carbonitrile (CID 112731690) is 1-(3-morpholin-4-ylpropyl)-2,4-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 1-(3-morpholin-4-ylpropyl)-2,4-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 1-(3-morpholin-4-ylpropyl)-2,4-dioxopyrimidine-5-carbonitrile is N#Cc1cn(CCCN2CCOCC2)c(=O)[nH]c1=O.
What is the InChIKey of 1-(3-morpholin-4-ylpropyl)-2,4-dioxopyrimidine-5-carbonitrile?
The InChIKey is CXDKHPMORRUHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c13-8-10-9-16(12(18)14-11(10)17)3-1-2-15-4-6-19-7-5-15/h9H,1-7H2,(H,14,17,18).
What are the key properties of 1-(3-morpholin-4-ylpropyl)-2,4-dioxopyrimidine-5-carbonitrile?
1-(3-morpholin-4-ylpropyl)-2,4-dioxopyrimidine-5-carbonitrile has a molecular weight of 264.28 g/mol, XLogP of -0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-morpholin-4-ylpropyl)-2,4-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 112731690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).