N-cyclopropyl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide

C9H11N3O3 — CID 71778355

IUPACN-cyclopropyl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCn1c(=O)[nH]cc(C(=O)NC2CC2)c1=O
InChIInChI=1S/C9H11N3O3/c1-12-8(14)6(4-10-9(12)15)7(13)11-5-2-3-5/h4-5H,2-3H2,1H3,(H,10,15)(H,11,13)
InChIKeyCIJXLJSLSAYJJO-UHFFFAOYSA-N
MW209.20 g/mol
LogP-1.03
Rot. Bonds2

About N-cyclopropyl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide

N-cyclopropyl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 71778355) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is N-cyclopropyl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID71778355
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC NameN-cyclopropyl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCn1c(=O)[nH]cc(C(=O)NC2CC2)c1=O
InChIInChI=1S/C9H11N3O3/c1-12-8(14)6(4-10-9(12)15)7(13)11-5-2-3-5/h4-5H,2-3H2,1H3,(H,10,15)(H,11,13)
InChIKeyCIJXLJSLSAYJJO-UHFFFAOYSA-N
XLogP-1.03
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 12692638
CID 12692638
CID 408478
CID 408478
CID 12458448
CID 12458448
CID 421650
CID 421650
CID 25185739
CID 25185739
CID 119099221
CID 119099221
CID 2823228
CID 2823228
CID 176468645
CID 176468645
CID 12212762
CID 12212762
CID 65562159
CID 65562159
CID 68808935
CID 68808935
CID 237955
CID 237955

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-cyclopropyl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 71778355) is N-cyclopropyl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-cyclopropyl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide is Cn1c(=O)[nH]cc(C(=O)NC2CC2)c1=O.
What is the InChIKey of N-cyclopropyl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is CIJXLJSLSAYJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c1-12-8(14)6(4-10-9(12)15)7(13)11-5-2-3-5/h4-5H,2-3H2,1H3,(H,10,15)(H,11,13).
What are the key properties of N-cyclopropyl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-cyclopropyl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 209.20 g/mol, XLogP of -1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 71778355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).