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

C10H13N3O3 — CID 5282553

IUPAC1-(2-hydroxypropyl)-3,6-dimethyl-2,4-dioxopyrimidine-5-carbonitrile
SMILESCc1c(C#N)c(=O)n(C)c(=O)n1CC(C)O
InChIInChI=1S/C10H13N3O3/c1-6(14)5-13-7(2)8(4-11)9(15)12(3)10(13)16/h6,14H,5H2,1-3H3
InChIKeyHCMVDMJRSYOOSG-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.89
Rot. Bonds2

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

1-(2-hydroxypropyl)-3,6-dimethyl-2,4-dioxopyrimidine-5-carbonitrile (PubChem CID 5282553) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 1-(2-hydroxypropyl)-3,6-dimethyl-2,4-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1-(2-hydroxypropyl)-3,6-dimethyl-2,4-dioxopyrimidine-5-carbonitrile
PubChem CID5282553
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name1-(2-hydroxypropyl)-3,6-dimethyl-2,4-dioxopyrimidine-5-carbonitrile
SMILESCc1c(C#N)c(=O)n(C)c(=O)n1CC(C)O
InChIInChI=1S/C10H13N3O3/c1-6(14)5-13-7(2)8(4-11)9(15)12(3)10(13)16/h6,14H,5H2,1-3H3
InChIKeyHCMVDMJRSYOOSG-UHFFFAOYSA-N
XLogP-0.89
TPSA88.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypropyl)-3,6-dimethyl-2,4-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 1-(2-hydroxypropyl)-3,6-dimethyl-2,4-dioxopyrimidine-5-carbonitrile (CID 5282553) is 1-(2-hydroxypropyl)-3,6-dimethyl-2,4-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 1-(2-hydroxypropyl)-3,6-dimethyl-2,4-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 1-(2-hydroxypropyl)-3,6-dimethyl-2,4-dioxopyrimidine-5-carbonitrile is Cc1c(C#N)c(=O)n(C)c(=O)n1CC(C)O.
What is the InChIKey of 1-(2-hydroxypropyl)-3,6-dimethyl-2,4-dioxopyrimidine-5-carbonitrile?
The InChIKey is HCMVDMJRSYOOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-6(14)5-13-7(2)8(4-11)9(15)12(3)10(13)16/h6,14H,5H2,1-3H3.
What are the key properties of 1-(2-hydroxypropyl)-3,6-dimethyl-2,4-dioxopyrimidine-5-carbonitrile?
1-(2-hydroxypropyl)-3,6-dimethyl-2,4-dioxopyrimidine-5-carbonitrile has a molecular weight of 223.23 g/mol, XLogP of -0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypropyl)-3,6-dimethyl-2,4-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 5282553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).