(2R)-2-(5-cyano-2,4-dioxopyrimidin-1-yl)-N,3,3-trimethylbutanamide

C12H16N4O3 — CID 1481169

IUPAC(2R)-2-(5-cyano-2,4-dioxopyrimidin-1-yl)-N,3,3-trimethylbutanamide
SMILESCNC(=O)[C@H](n1cc(C#N)c(=O)[nH]c1=O)C(C)(C)C
InChIInChI=1S/C12H16N4O3/c1-12(2,3)8(10(18)14-4)16-6-7(5-13)9(17)15-11(16)19/h6,8H,1-4H3,(H,14,18)(H,15,17,19)/t8-/m0/s1
InChIKeyGMFMXAJTPWAJDZ-QMMMGPOBSA-N
MW264.28 g/mol
LogP-0.26
Rot. Bonds2

About (2R)-2-(5-cyano-2,4-dioxopyrimidin-1-yl)-N,3,3-trimethylbutanamide

(2R)-2-(5-cyano-2,4-dioxopyrimidin-1-yl)-N,3,3-trimethylbutanamide (PubChem CID 1481169) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is (2R)-2-(5-cyano-2,4-dioxopyrimidin-1-yl)-N,3,3-trimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-(5-cyano-2,4-dioxopyrimidin-1-yl)-N,3,3-trimethylbutanamide
PubChem CID1481169
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name(2R)-2-(5-cyano-2,4-dioxopyrimidin-1-yl)-N,3,3-trimethylbutanamide
SMILESCNC(=O)[C@H](n1cc(C#N)c(=O)[nH]c1=O)C(C)(C)C
InChIInChI=1S/C12H16N4O3/c1-12(2,3)8(10(18)14-4)16-6-7(5-13)9(17)15-11(16)19/h6,8H,1-4H3,(H,14,18)(H,15,17,19)/t8-/m0/s1
InChIKeyGMFMXAJTPWAJDZ-QMMMGPOBSA-N
XLogP-0.26
TPSA107.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-cyano-2,4-dioxopyrimidin-1-yl)-N,3,3-trimethylbutanamide?
The IUPAC name of (2R)-2-(5-cyano-2,4-dioxopyrimidin-1-yl)-N,3,3-trimethylbutanamide (CID 1481169) is (2R)-2-(5-cyano-2,4-dioxopyrimidin-1-yl)-N,3,3-trimethylbutanamide.
What is the SMILES notation for (2R)-2-(5-cyano-2,4-dioxopyrimidin-1-yl)-N,3,3-trimethylbutanamide?
The canonical SMILES for (2R)-2-(5-cyano-2,4-dioxopyrimidin-1-yl)-N,3,3-trimethylbutanamide is CNC(=O)[C@H](n1cc(C#N)c(=O)[nH]c1=O)C(C)(C)C.
What is the InChIKey of (2R)-2-(5-cyano-2,4-dioxopyrimidin-1-yl)-N,3,3-trimethylbutanamide?
The InChIKey is GMFMXAJTPWAJDZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-12(2,3)8(10(18)14-4)16-6-7(5-13)9(17)15-11(16)19/h6,8H,1-4H3,(H,14,18)(H,15,17,19)/t8-/m0/s1.
What are the key properties of (2R)-2-(5-cyano-2,4-dioxopyrimidin-1-yl)-N,3,3-trimethylbutanamide?
(2R)-2-(5-cyano-2,4-dioxopyrimidin-1-yl)-N,3,3-trimethylbutanamide has a molecular weight of 264.28 g/mol, XLogP of -0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-cyano-2,4-dioxopyrimidin-1-yl)-N,3,3-trimethylbutanamide is sourced from PubChem (CID 1481169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).