2-methylidene-1-propylpyrimidine

C8H12N2 — CID 123639405

IUPAC2-methylidene-1-propylpyrimidine
SMILESC=C1N=CC=CN1CCC
InChIInChI=1S/C8H12N2/c1-3-6-10-7-4-5-9-8(10)2/h4-5,7H,2-3,6H2,1H3
InChIKeyITBUKNDJRWWCGT-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.77
Rot. Bonds2

About 2-methylidene-1-propylpyrimidine

2-methylidene-1-propylpyrimidine (PubChem CID 123639405) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 2-methylidene-1-propylpyrimidine.

Molecular Properties

Compound Name2-methylidene-1-propylpyrimidine
PubChem CID123639405
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name2-methylidene-1-propylpyrimidine
SMILESC=C1N=CC=CN1CCC
InChIInChI=1S/C8H12N2/c1-3-6-10-7-4-5-9-8(10)2/h4-5,7H,2-3,6H2,1H3
InChIKeyITBUKNDJRWWCGT-UHFFFAOYSA-N
XLogP1.77
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-Methyl-2(1H)-pyrimidinylidene)methanamine
CID 21719087
Pyrimidine, 2-ethylimino-1,2-dihydro-1-methyl-
CID 89030559
Pyrimidine, 1-butyl-1,2-dihydro-2-oxo-
CID 116618400
Pyrimidine, 1-ethyl-1,2-dihydro-2-methylimino-
CID 142258453
methanaminium, N-[(2E)-3-(dimethylamino)-2-propenylidene]-N-methyl-
CID 638326
1-(Prop-1-en-1-yl)-1,2-dihydropyrazine
CID 71361020
1-Butyl-2(1H)-pyrimidinimine
CID 165359023
Pyrimidine, 2-allylimino-1,2-dihydro-1-propyl-
CID 171384034
Pyrimidine, 1-butyl-1,2-dihydro-2-methylimino-
CID 171384475
Pyrimidine, 1-allyl-1,2-dihydro-2-propylimino-
CID 171384509
Pyrimidine, 2-butylimino-1,2-dihydro-1-methyl-
CID 171384684
1-Methylpyrimidine
CID 18974088

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-1-propylpyrimidine?
The IUPAC name of 2-methylidene-1-propylpyrimidine (CID 123639405) is 2-methylidene-1-propylpyrimidine.
What is the SMILES notation for 2-methylidene-1-propylpyrimidine?
The canonical SMILES for 2-methylidene-1-propylpyrimidine is C=C1N=CC=CN1CCC.
What is the InChIKey of 2-methylidene-1-propylpyrimidine?
The InChIKey is ITBUKNDJRWWCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-3-6-10-7-4-5-9-8(10)2/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 2-methylidene-1-propylpyrimidine?
2-methylidene-1-propylpyrimidine has a molecular weight of 136.20 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-1-propylpyrimidine is sourced from PubChem (CID 123639405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).