3-methyl-2-propan-2-ylimino-1,4-dihydropyrimidine-5-carboxamide

C9H16N4O — CID 135727044

IUPAC3-methyl-2-propan-2-ylimino-1,4-dihydropyrimidine-5-carboxamide
SMILESCC(C)/N=C1\NC=C(C(N)=O)CN1C
InChIInChI=1S/C9H16N4O/c1-6(2)12-9-11-4-7(8(10)14)5-13(9)3/h4,6H,5H2,1-3H3,(H2,10,14)(H,11,12)
InChIKeyHRDFHPQRBWNVEO-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.34
Rot. Bonds2

About 3-methyl-2-propan-2-ylimino-1,4-dihydropyrimidine-5-carboxamide

3-methyl-2-propan-2-ylimino-1,4-dihydropyrimidine-5-carboxamide (PubChem CID 135727044) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-methyl-2-propan-2-ylimino-1,4-dihydropyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-methyl-2-propan-2-ylimino-1,4-dihydropyrimidine-5-carboxamide
PubChem CID135727044
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name3-methyl-2-propan-2-ylimino-1,4-dihydropyrimidine-5-carboxamide
SMILESCC(C)/N=C1\NC=C(C(N)=O)CN1C
InChIInChI=1S/C9H16N4O/c1-6(2)12-9-11-4-7(8(10)14)5-13(9)3/h4,6H,5H2,1-3H3,(H2,10,14)(H,11,12)
InChIKeyHRDFHPQRBWNVEO-UHFFFAOYSA-N
XLogP-0.34
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-propan-2-ylimino-1,4-dihydropyrimidine-5-carboxamide?
The IUPAC name of 3-methyl-2-propan-2-ylimino-1,4-dihydropyrimidine-5-carboxamide (CID 135727044) is 3-methyl-2-propan-2-ylimino-1,4-dihydropyrimidine-5-carboxamide.
What is the SMILES notation for 3-methyl-2-propan-2-ylimino-1,4-dihydropyrimidine-5-carboxamide?
The canonical SMILES for 3-methyl-2-propan-2-ylimino-1,4-dihydropyrimidine-5-carboxamide is CC(C)/N=C1\NC=C(C(N)=O)CN1C.
What is the InChIKey of 3-methyl-2-propan-2-ylimino-1,4-dihydropyrimidine-5-carboxamide?
The InChIKey is HRDFHPQRBWNVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-6(2)12-9-11-4-7(8(10)14)5-13(9)3/h4,6H,5H2,1-3H3,(H2,10,14)(H,11,12).
What are the key properties of 3-methyl-2-propan-2-ylimino-1,4-dihydropyrimidine-5-carboxamide?
3-methyl-2-propan-2-ylimino-1,4-dihydropyrimidine-5-carboxamide has a molecular weight of 196.25 g/mol, XLogP of -0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-propan-2-ylimino-1,4-dihydropyrimidine-5-carboxamide is sourced from PubChem (CID 135727044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).