(2E)-2-propylidene-1H-pyrimidine

C7H10N2 — CID 156574127

IUPAC(2E)-2-propylidene-1H-pyrimidine
SMILESCC/C=C1/N=CC=CN1
InChIInChI=1S/C7H10N2/c1-2-4-7-8-5-3-6-9-7/h3-6,8H,2H2,1H3/b7-4+
InChIKeyDSRATZPTGRDSHN-QPJJXVBHSA-N
MW122.17 g/mol
LogP1.43
Rot. Bonds1

About (2E)-2-propylidene-1H-pyrimidine

(2E)-2-propylidene-1H-pyrimidine (PubChem CID 156574127) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is (2E)-2-propylidene-1H-pyrimidine.

Molecular Properties

Compound Name(2E)-2-propylidene-1H-pyrimidine
PubChem CID156574127
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name(2E)-2-propylidene-1H-pyrimidine
SMILESCC/C=C1/N=CC=CN1
InChIInChI=1S/C7H10N2/c1-2-4-7-8-5-3-6-9-7/h3-6,8H,2H2,1H3/b7-4+
InChIKeyDSRATZPTGRDSHN-QPJJXVBHSA-N
XLogP1.43
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-propylidene-1H-pyrimidine?
The IUPAC name of (2E)-2-propylidene-1H-pyrimidine (CID 156574127) is (2E)-2-propylidene-1H-pyrimidine.
What is the SMILES notation for (2E)-2-propylidene-1H-pyrimidine?
The canonical SMILES for (2E)-2-propylidene-1H-pyrimidine is CC/C=C1/N=CC=CN1.
What is the InChIKey of (2E)-2-propylidene-1H-pyrimidine?
The InChIKey is DSRATZPTGRDSHN-QPJJXVBHSA-N. The full InChI is InChI=1S/C7H10N2/c1-2-4-7-8-5-3-6-9-7/h3-6,8H,2H2,1H3/b7-4+.
What are the key properties of (2E)-2-propylidene-1H-pyrimidine?
(2E)-2-propylidene-1H-pyrimidine has a molecular weight of 122.17 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-propylidene-1H-pyrimidine is sourced from PubChem (CID 156574127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).