1,3-dimethyl-4-[methyl-[3-(2-methylimidazol-1-yl)propyl]amino]-2,6-dioxopyrimidine-5-carbonitrile

C15H20N6O2 — CID 133398106

IUPAC1,3-dimethyl-4-[methyl-[3-(2-methylimidazol-1-yl)propyl]amino]-2,6-dioxopyrimidine-5-carbonitrile
SMILESCc1nccn1CCCN(C)c1c(C#N)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C15H20N6O2/c1-11-17-6-9-21(11)8-5-7-18(2)13-12(10-16)14(22)20(4)15(23)19(13)3/h6,9H,5,7-8H2,1-4H3
InChIKeyAPMUHWBCNOVUQX-UHFFFAOYSA-N
MW316.37 g/mol
LogP-0.01
Rot. Bonds5

About 1,3-dimethyl-4-[methyl-[3-(2-methylimidazol-1-yl)propyl]amino]-2,6-dioxopyrimidine-5-carbonitrile

1,3-dimethyl-4-[methyl-[3-(2-methylimidazol-1-yl)propyl]amino]-2,6-dioxopyrimidine-5-carbonitrile (PubChem CID 133398106) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is 1,3-dimethyl-4-[methyl-[3-(2-methylimidazol-1-yl)propyl]amino]-2,6-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1,3-dimethyl-4-[methyl-[3-(2-methylimidazol-1-yl)propyl]amino]-2,6-dioxopyrimidine-5-carbonitrile
PubChem CID133398106
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name1,3-dimethyl-4-[methyl-[3-(2-methylimidazol-1-yl)propyl]amino]-2,6-dioxopyrimidine-5-carbonitrile
SMILESCc1nccn1CCCN(C)c1c(C#N)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C15H20N6O2/c1-11-17-6-9-21(11)8-5-7-18(2)13-12(10-16)14(22)20(4)15(23)19(13)3/h6,9H,5,7-8H2,1-4H3
InChIKeyAPMUHWBCNOVUQX-UHFFFAOYSA-N
XLogP-0.01
TPSA88.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-[methyl-[3-(2-methylimidazol-1-yl)propyl]amino]-2,6-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 1,3-dimethyl-4-[methyl-[3-(2-methylimidazol-1-yl)propyl]amino]-2,6-dioxopyrimidine-5-carbonitrile (CID 133398106) is 1,3-dimethyl-4-[methyl-[3-(2-methylimidazol-1-yl)propyl]amino]-2,6-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 1,3-dimethyl-4-[methyl-[3-(2-methylimidazol-1-yl)propyl]amino]-2,6-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 1,3-dimethyl-4-[methyl-[3-(2-methylimidazol-1-yl)propyl]amino]-2,6-dioxopyrimidine-5-carbonitrile is Cc1nccn1CCCN(C)c1c(C#N)c(=O)n(C)c(=O)n1C.
What is the InChIKey of 1,3-dimethyl-4-[methyl-[3-(2-methylimidazol-1-yl)propyl]amino]-2,6-dioxopyrimidine-5-carbonitrile?
The InChIKey is APMUHWBCNOVUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-11-17-6-9-21(11)8-5-7-18(2)13-12(10-16)14(22)20(4)15(23)19(13)3/h6,9H,5,7-8H2,1-4H3.
What are the key properties of 1,3-dimethyl-4-[methyl-[3-(2-methylimidazol-1-yl)propyl]amino]-2,6-dioxopyrimidine-5-carbonitrile?
1,3-dimethyl-4-[methyl-[3-(2-methylimidazol-1-yl)propyl]amino]-2,6-dioxopyrimidine-5-carbonitrile has a molecular weight of 316.37 g/mol, XLogP of -0.01, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-[methyl-[3-(2-methylimidazol-1-yl)propyl]amino]-2,6-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 133398106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).