4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile

C14H19N5O2 — CID 42957417

IUPAC4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
SMILESCn1c(N2CCN3CCCC3C2)c(C#N)c(=O)n(C)c1=O
InChIInChI=1S/C14H19N5O2/c1-16-12(11(8-15)13(20)17(2)14(16)21)19-7-6-18-5-3-4-10(18)9-19/h10H,3-7,9H2,1-2H3
InChIKeyDXVRVHDPYTZWRB-UHFFFAOYSA-N
MW289.34 g/mol
LogP-0.76
Rot. Bonds1

About 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile

4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile (PubChem CID 42957417) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
PubChem CID42957417
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
SMILESCn1c(N2CCN3CCCC3C2)c(C#N)c(=O)n(C)c1=O
InChIInChI=1S/C14H19N5O2/c1-16-12(11(8-15)13(20)17(2)14(16)21)19-7-6-18-5-3-4-10(18)9-19/h10H,3-7,9H2,1-2H3
InChIKeyDXVRVHDPYTZWRB-UHFFFAOYSA-N
XLogP-0.76
TPSA74.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 5-0.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile (CID 42957417) is 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile is Cn1c(N2CCN3CCCC3C2)c(C#N)c(=O)n(C)c1=O.
What is the InChIKey of 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The InChIKey is DXVRVHDPYTZWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-16-12(11(8-15)13(20)17(2)14(16)21)19-7-6-18-5-3-4-10(18)9-19/h10H,3-7,9H2,1-2H3.
What are the key properties of 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile has a molecular weight of 289.34 g/mol, XLogP of -0.76, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 42957417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).