5-[(E)-but-1-enyl]-3-methyl-4H-pyrimidine

C9H14N2 — CID 67633894

IUPAC5-[(E)-but-1-enyl]-3-methyl-4H-pyrimidine
SMILESCC/C=C/C1=CN=CN(C)C1
InChIInChI=1S/C9H14N2/c1-3-4-5-9-6-10-8-11(2)7-9/h4-6,8H,3,7H2,1-2H3/b5-4+
InChIKeyGTDQMPGRNMHDEO-SNAWJCMRSA-N
MW150.22 g/mol
LogP1.81
Rot. Bonds2

About 5-[(E)-but-1-enyl]-3-methyl-4H-pyrimidine

5-[(E)-but-1-enyl]-3-methyl-4H-pyrimidine (PubChem CID 67633894) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 5-[(E)-but-1-enyl]-3-methyl-4H-pyrimidine.

Molecular Properties

Compound Name5-[(E)-but-1-enyl]-3-methyl-4H-pyrimidine
PubChem CID67633894
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name5-[(E)-but-1-enyl]-3-methyl-4H-pyrimidine
SMILESCC/C=C/C1=CN=CN(C)C1
InChIInChI=1S/C9H14N2/c1-3-4-5-9-6-10-8-11(2)7-9/h4-6,8H,3,7H2,1-2H3/b5-4+
InChIKeyGTDQMPGRNMHDEO-SNAWJCMRSA-N
XLogP1.81
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-methyl-4H-pyrimidin-5-yl)but-3-en-1-amine
CID 57235119
azane;5-[(E)-but-1-enyl]-3-methyl-4H-pyrimidine
CID 67633893
(E)-4-(3-methyl-4H-pyrimidin-5-yl)but-3-en-1-amine
CID 69536246
7,8-Dimethyl-1,3-diazabicyclo[4.2.0]octa-2,4,6-triene
CID 89950252
3,8-Dimethyl-4,7-dihydropyrido[2,3-d]pyrimidine
CID 90849756
2-chloro-3-[(1Z,3Z)-hexa-1,3-dienyl]-4H-pyrimidine
CID 130412810
N,1,5-trimethylpyridin-2-imine
CID 135258651
3-(cyclohepta-1,3,6-trien-1-ylmethyl)-6-methyl-4H-pyrimidine
CID 135258687
ethane;N-ethenyl-N-[(2E)-2-ethenylpenta-2,4-dienyl]-N'-ethylmethanimidamide
CID 141875502
1-methyl-8aH-quinazoline
CID 145507126
1,8-dimethyl-8aH-quinazoline
CID 149269224
1,7-Dimethyl-1,8a-dihydroimidazo[1,5-a]pyridine
CID 163786479

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-but-1-enyl]-3-methyl-4H-pyrimidine?
The IUPAC name of 5-[(E)-but-1-enyl]-3-methyl-4H-pyrimidine (CID 67633894) is 5-[(E)-but-1-enyl]-3-methyl-4H-pyrimidine.
What is the SMILES notation for 5-[(E)-but-1-enyl]-3-methyl-4H-pyrimidine?
The canonical SMILES for 5-[(E)-but-1-enyl]-3-methyl-4H-pyrimidine is CC/C=C/C1=CN=CN(C)C1.
What is the InChIKey of 5-[(E)-but-1-enyl]-3-methyl-4H-pyrimidine?
The InChIKey is GTDQMPGRNMHDEO-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H14N2/c1-3-4-5-9-6-10-8-11(2)7-9/h4-6,8H,3,7H2,1-2H3/b5-4+.
What are the key properties of 5-[(E)-but-1-enyl]-3-methyl-4H-pyrimidine?
5-[(E)-but-1-enyl]-3-methyl-4H-pyrimidine has a molecular weight of 150.22 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-but-1-enyl]-3-methyl-4H-pyrimidine is sourced from PubChem (CID 67633894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).