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

C17H27N5O3 — CID 18156208

IUPAC1,3-dimethyl-4-[(4-methyl-2-morpholin-4-ylpentyl)amino]-2,6-dioxopyrimidine-5-carbonitrile
SMILESCC(C)CC(CNc1c(C#N)c(=O)n(C)c(=O)n1C)N1CCOCC1
InChIInChI=1S/C17H27N5O3/c1-12(2)9-13(22-5-7-25-8-6-22)11-19-15-14(10-18)16(23)21(4)17(24)20(15)3/h12-13,19H,5-9,11H2,1-4H3
InChIKeyOUCQETRVPAPQDM-UHFFFAOYSA-N
MW349.44 g/mol
LogP0.11
Rot. Bonds6

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

1,3-dimethyl-4-[(4-methyl-2-morpholin-4-ylpentyl)amino]-2,6-dioxopyrimidine-5-carbonitrile (PubChem CID 18156208) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is 1,3-dimethyl-4-[(4-methyl-2-morpholin-4-ylpentyl)amino]-2,6-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1,3-dimethyl-4-[(4-methyl-2-morpholin-4-ylpentyl)amino]-2,6-dioxopyrimidine-5-carbonitrile
PubChem CID18156208
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC Name1,3-dimethyl-4-[(4-methyl-2-morpholin-4-ylpentyl)amino]-2,6-dioxopyrimidine-5-carbonitrile
SMILESCC(C)CC(CNc1c(C#N)c(=O)n(C)c(=O)n1C)N1CCOCC1
InChIInChI=1S/C17H27N5O3/c1-12(2)9-13(22-5-7-25-8-6-22)11-19-15-14(10-18)16(23)21(4)17(24)20(15)3/h12-13,19H,5-9,11H2,1-4H3
InChIKeyOUCQETRVPAPQDM-UHFFFAOYSA-N
XLogP0.11
TPSA92.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 50.11
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-[(4-methyl-2-morpholin-4-ylpentyl)amino]-2,6-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 1,3-dimethyl-4-[(4-methyl-2-morpholin-4-ylpentyl)amino]-2,6-dioxopyrimidine-5-carbonitrile (CID 18156208) is 1,3-dimethyl-4-[(4-methyl-2-morpholin-4-ylpentyl)amino]-2,6-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 1,3-dimethyl-4-[(4-methyl-2-morpholin-4-ylpentyl)amino]-2,6-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 1,3-dimethyl-4-[(4-methyl-2-morpholin-4-ylpentyl)amino]-2,6-dioxopyrimidine-5-carbonitrile is CC(C)CC(CNc1c(C#N)c(=O)n(C)c(=O)n1C)N1CCOCC1.
What is the InChIKey of 1,3-dimethyl-4-[(4-methyl-2-morpholin-4-ylpentyl)amino]-2,6-dioxopyrimidine-5-carbonitrile?
The InChIKey is OUCQETRVPAPQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3/c1-12(2)9-13(22-5-7-25-8-6-22)11-19-15-14(10-18)16(23)21(4)17(24)20(15)3/h12-13,19H,5-9,11H2,1-4H3.
What are the key properties of 1,3-dimethyl-4-[(4-methyl-2-morpholin-4-ylpentyl)amino]-2,6-dioxopyrimidine-5-carbonitrile?
1,3-dimethyl-4-[(4-methyl-2-morpholin-4-ylpentyl)amino]-2,6-dioxopyrimidine-5-carbonitrile has a molecular weight of 349.44 g/mol, XLogP of 0.11, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-[(4-methyl-2-morpholin-4-ylpentyl)amino]-2,6-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 18156208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).