N-(5-propan-2-ylpyrimidin-2-yl)formamide

C8H11N3O — CID 130210238

IUPACN-(5-propan-2-ylpyrimidin-2-yl)formamide
SMILESCC(C)c1cnc(NC=O)nc1
InChIInChI=1S/C8H11N3O/c1-6(2)7-3-9-8(10-4-7)11-5-12/h3-6H,1-2H3,(H,9,10,11,12)
InChIKeyDDTDCIORYWYPTK-UHFFFAOYSA-N
MW165.20 g/mol
LogP1.17
Rot. Bonds3

About N-(5-propan-2-ylpyrimidin-2-yl)formamide

N-(5-propan-2-ylpyrimidin-2-yl)formamide (PubChem CID 130210238) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is N-(5-propan-2-ylpyrimidin-2-yl)formamide.

Molecular Properties

Compound NameN-(5-propan-2-ylpyrimidin-2-yl)formamide
PubChem CID130210238
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC NameN-(5-propan-2-ylpyrimidin-2-yl)formamide
SMILESCC(C)c1cnc(NC=O)nc1
InChIInChI=1S/C8H11N3O/c1-6(2)7-3-9-8(10-4-7)11-5-12/h3-6H,1-2H3,(H,9,10,11,12)
InChIKeyDDTDCIORYWYPTK-UHFFFAOYSA-N
XLogP1.17
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-propan-2-ylpyrimidin-2-yl)formamide?
The IUPAC name of N-(5-propan-2-ylpyrimidin-2-yl)formamide (CID 130210238) is N-(5-propan-2-ylpyrimidin-2-yl)formamide.
What is the SMILES notation for N-(5-propan-2-ylpyrimidin-2-yl)formamide?
The canonical SMILES for N-(5-propan-2-ylpyrimidin-2-yl)formamide is CC(C)c1cnc(NC=O)nc1.
What is the InChIKey of N-(5-propan-2-ylpyrimidin-2-yl)formamide?
The InChIKey is DDTDCIORYWYPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-6(2)7-3-9-8(10-4-7)11-5-12/h3-6H,1-2H3,(H,9,10,11,12).
What are the key properties of N-(5-propan-2-ylpyrimidin-2-yl)formamide?
N-(5-propan-2-ylpyrimidin-2-yl)formamide has a molecular weight of 165.20 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propan-2-ylpyrimidin-2-yl)formamide is sourced from PubChem (CID 130210238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).