1,3-dimethyl-4-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2,6-dioxopyrimidine-5-carbonitrile

C15H23N5O3 — CID 17455267

IUPAC1,3-dimethyl-4-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2,6-dioxopyrimidine-5-carbonitrile
SMILESCn1c(NCC(C)(C)N2CCOCC2)c(C#N)c(=O)n(C)c1=O
InChIInChI=1S/C15H23N5O3/c1-15(2,20-5-7-23-8-6-20)10-17-12-11(9-16)13(21)19(4)14(22)18(12)3/h17H,5-8,10H2,1-4H3
InChIKeyCAWYLNTUGGUONL-UHFFFAOYSA-N
MW321.38 g/mol
LogP-0.52
Rot. Bonds4

About 1,3-dimethyl-4-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2,6-dioxopyrimidine-5-carbonitrile

1,3-dimethyl-4-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2,6-dioxopyrimidine-5-carbonitrile (PubChem CID 17455267) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1,3-dimethyl-4-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2,6-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1,3-dimethyl-4-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2,6-dioxopyrimidine-5-carbonitrile
PubChem CID17455267
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC Name1,3-dimethyl-4-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2,6-dioxopyrimidine-5-carbonitrile
SMILESCn1c(NCC(C)(C)N2CCOCC2)c(C#N)c(=O)n(C)c1=O
InChIInChI=1S/C15H23N5O3/c1-15(2,20-5-7-23-8-6-20)10-17-12-11(9-16)13(21)19(4)14(22)18(12)3/h17H,5-8,10H2,1-4H3
InChIKeyCAWYLNTUGGUONL-UHFFFAOYSA-N
XLogP-0.52
TPSA92.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2,6-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 1,3-dimethyl-4-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2,6-dioxopyrimidine-5-carbonitrile (CID 17455267) is 1,3-dimethyl-4-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2,6-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 1,3-dimethyl-4-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2,6-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 1,3-dimethyl-4-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2,6-dioxopyrimidine-5-carbonitrile is Cn1c(NCC(C)(C)N2CCOCC2)c(C#N)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-4-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2,6-dioxopyrimidine-5-carbonitrile?
The InChIKey is CAWYLNTUGGUONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O3/c1-15(2,20-5-7-23-8-6-20)10-17-12-11(9-16)13(21)19(4)14(22)18(12)3/h17H,5-8,10H2,1-4H3.
What are the key properties of 1,3-dimethyl-4-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2,6-dioxopyrimidine-5-carbonitrile?
1,3-dimethyl-4-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2,6-dioxopyrimidine-5-carbonitrile has a molecular weight of 321.38 g/mol, XLogP of -0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2,6-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 17455267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).