1,3-dimethyl-4-(3-methylbutan-2-ylamino)-2,6-dioxopyrimidine-5-carbonitrile

C12H18N4O2 — CID 51322324

IUPAC1,3-dimethyl-4-(3-methylbutan-2-ylamino)-2,6-dioxopyrimidine-5-carbonitrile
SMILESCC(C)C(C)Nc1c(C#N)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C12H18N4O2/c1-7(2)8(3)14-10-9(6-13)11(17)16(5)12(18)15(10)4/h7-8,14H,1-5H3
InChIKeyYMCWRTSCFWDVPO-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.41
Rot. Bonds3

About 1,3-dimethyl-4-(3-methylbutan-2-ylamino)-2,6-dioxopyrimidine-5-carbonitrile

1,3-dimethyl-4-(3-methylbutan-2-ylamino)-2,6-dioxopyrimidine-5-carbonitrile (PubChem CID 51322324) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1,3-dimethyl-4-(3-methylbutan-2-ylamino)-2,6-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1,3-dimethyl-4-(3-methylbutan-2-ylamino)-2,6-dioxopyrimidine-5-carbonitrile
PubChem CID51322324
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name1,3-dimethyl-4-(3-methylbutan-2-ylamino)-2,6-dioxopyrimidine-5-carbonitrile
SMILESCC(C)C(C)Nc1c(C#N)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C12H18N4O2/c1-7(2)8(3)14-10-9(6-13)11(17)16(5)12(18)15(10)4/h7-8,14H,1-5H3
InChIKeyYMCWRTSCFWDVPO-UHFFFAOYSA-N
XLogP0.41
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-(3-methylbutan-2-ylamino)-2,6-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 1,3-dimethyl-4-(3-methylbutan-2-ylamino)-2,6-dioxopyrimidine-5-carbonitrile (CID 51322324) is 1,3-dimethyl-4-(3-methylbutan-2-ylamino)-2,6-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 1,3-dimethyl-4-(3-methylbutan-2-ylamino)-2,6-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 1,3-dimethyl-4-(3-methylbutan-2-ylamino)-2,6-dioxopyrimidine-5-carbonitrile is CC(C)C(C)Nc1c(C#N)c(=O)n(C)c(=O)n1C.
What is the InChIKey of 1,3-dimethyl-4-(3-methylbutan-2-ylamino)-2,6-dioxopyrimidine-5-carbonitrile?
The InChIKey is YMCWRTSCFWDVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-7(2)8(3)14-10-9(6-13)11(17)16(5)12(18)15(10)4/h7-8,14H,1-5H3.
What are the key properties of 1,3-dimethyl-4-(3-methylbutan-2-ylamino)-2,6-dioxopyrimidine-5-carbonitrile?
1,3-dimethyl-4-(3-methylbutan-2-ylamino)-2,6-dioxopyrimidine-5-carbonitrile has a molecular weight of 250.30 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-(3-methylbutan-2-ylamino)-2,6-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 51322324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).