1,3-dimethyl-4-(4-methylpiperazin-1-yl)-2,6-dioxopyrimidine-5-carbonitrile

C12H17N5O2 — CID 24587372

IUPAC1,3-dimethyl-4-(4-methylpiperazin-1-yl)-2,6-dioxopyrimidine-5-carbonitrile
SMILESCN1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1
InChIInChI=1S/C12H17N5O2/c1-14-4-6-17(7-5-14)10-9(8-13)11(18)16(3)12(19)15(10)2/h4-7H2,1-3H3
InChIKeyZMXZAQHQPAQICR-UHFFFAOYSA-N
MW263.30 g/mol
LogP-1.29
Rot. Bonds1

About 1,3-dimethyl-4-(4-methylpiperazin-1-yl)-2,6-dioxopyrimidine-5-carbonitrile

1,3-dimethyl-4-(4-methylpiperazin-1-yl)-2,6-dioxopyrimidine-5-carbonitrile (PubChem CID 24587372) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1,3-dimethyl-4-(4-methylpiperazin-1-yl)-2,6-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1,3-dimethyl-4-(4-methylpiperazin-1-yl)-2,6-dioxopyrimidine-5-carbonitrile
PubChem CID24587372
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name1,3-dimethyl-4-(4-methylpiperazin-1-yl)-2,6-dioxopyrimidine-5-carbonitrile
SMILESCN1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1
InChIInChI=1S/C12H17N5O2/c1-14-4-6-17(7-5-14)10-9(8-13)11(18)16(3)12(19)15(10)2/h4-7H2,1-3H3
InChIKeyZMXZAQHQPAQICR-UHFFFAOYSA-N
XLogP-1.29
TPSA74.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-1.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-(4-methylpiperazin-1-yl)-2,6-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 1,3-dimethyl-4-(4-methylpiperazin-1-yl)-2,6-dioxopyrimidine-5-carbonitrile (CID 24587372) is 1,3-dimethyl-4-(4-methylpiperazin-1-yl)-2,6-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 1,3-dimethyl-4-(4-methylpiperazin-1-yl)-2,6-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 1,3-dimethyl-4-(4-methylpiperazin-1-yl)-2,6-dioxopyrimidine-5-carbonitrile is CN1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1.
What is the InChIKey of 1,3-dimethyl-4-(4-methylpiperazin-1-yl)-2,6-dioxopyrimidine-5-carbonitrile?
The InChIKey is ZMXZAQHQPAQICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-14-4-6-17(7-5-14)10-9(8-13)11(18)16(3)12(19)15(10)2/h4-7H2,1-3H3.
What are the key properties of 1,3-dimethyl-4-(4-methylpiperazin-1-yl)-2,6-dioxopyrimidine-5-carbonitrile?
1,3-dimethyl-4-(4-methylpiperazin-1-yl)-2,6-dioxopyrimidine-5-carbonitrile has a molecular weight of 263.30 g/mol, XLogP of -1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-(4-methylpiperazin-1-yl)-2,6-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 24587372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).