2-cyclopropyl-4-methylpyrimidine;formic acid

C9H12N2O2 — CID 165132311

IUPAC2-cyclopropyl-4-methylpyrimidine;formic acid
SMILESCc1ccnc(C2CC2)n1.O=CO
InChIInChI=1S/C8H10N2.CH2O2/c1-6-4-5-9-8(10-6)7-2-3-7;2-1-3/h4-5,7H,2-3H2,1H3;1H,(H,2,3)
InChIKeyFEFGWGIFKRDKLI-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.36
Rot. Bonds1

About 2-cyclopropyl-4-methylpyrimidine;formic acid

2-cyclopropyl-4-methylpyrimidine;formic acid (PubChem CID 165132311) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-cyclopropyl-4-methylpyrimidine;formic acid.

Molecular Properties

Compound Name2-cyclopropyl-4-methylpyrimidine;formic acid
PubChem CID165132311
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-cyclopropyl-4-methylpyrimidine;formic acid
SMILESCc1ccnc(C2CC2)n1.O=CO
InChIInChI=1S/C8H10N2.CH2O2/c1-6-4-5-9-8(10-6)7-2-3-7;2-1-3/h4-5,7H,2-3H2,1H3;1H,(H,2,3)
InChIKeyFEFGWGIFKRDKLI-UHFFFAOYSA-N
XLogP1.36
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methylpyrimidin-2-yl)cyclohexan-1-ol
CID 116901966
N-(6-chloro-2-methylpyrimidin-4-yl)formamide;2-cyclopropyl-4-methylpyrimidine;ethane
CID 165132649
2-(azetidin-3-yl)-4-methylpyrimidine;dihydrochloride
CID 71298998
2-[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]acetic acid
CID 124954393
4-methyl-2-[1-(2-methylpropyl)piperidin-4-yl]pyrimidine
CID 95821351
4-methyl-2-(1-methylpiperidin-3-yl)pyrimidine
CID 122609712
1-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]ethanone
CID 165134383
2-cyclopentylpyrimidine-4-carbaldehyde
CID 62749496
4-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidine
CID 95808838
(5-methylpyrazin-2-yl)-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 175652427
2-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone
CID 127246548
4-[[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]benzoic acid
CID 125003047

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-methylpyrimidine;formic acid?
The IUPAC name of 2-cyclopropyl-4-methylpyrimidine;formic acid (CID 165132311) is 2-cyclopropyl-4-methylpyrimidine;formic acid.
What is the SMILES notation for 2-cyclopropyl-4-methylpyrimidine;formic acid?
The canonical SMILES for 2-cyclopropyl-4-methylpyrimidine;formic acid is Cc1ccnc(C2CC2)n1.O=CO.
What is the InChIKey of 2-cyclopropyl-4-methylpyrimidine;formic acid?
The InChIKey is FEFGWGIFKRDKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2.CH2O2/c1-6-4-5-9-8(10-6)7-2-3-7;2-1-3/h4-5,7H,2-3H2,1H3;1H,(H,2,3).
What are the key properties of 2-cyclopropyl-4-methylpyrimidine;formic acid?
2-cyclopropyl-4-methylpyrimidine;formic acid has a molecular weight of 180.21 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-methylpyrimidine;formic acid is sourced from PubChem (CID 165132311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).