4,6-dimethyl-1H-pyrimidine

C6H8N2 — CID 176543833

IUPAC4,6-dimethyl-1H-pyrimidine
SMILESCC1=C=C(C)NC=N1
InChIInChI=1S/C6H8N2/c1-5-3-6(2)8-4-7-5/h4H,1-2H3,(H,7,8)
InChIKeyPYZPNOZIAQRKQS-UHFFFAOYSA-N
MW108.14 g/mol
LogP1.02
Rot. Bonds

About 4,6-dimethyl-1H-pyrimidine

4,6-dimethyl-1H-pyrimidine (PubChem CID 176543833) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 4,6-dimethyl-1H-pyrimidine.

Molecular Properties

Compound Name4,6-dimethyl-1H-pyrimidine
PubChem CID176543833
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name4,6-dimethyl-1H-pyrimidine
SMILESCC1=C=C(C)NC=N1
InChIInChI=1S/C6H8N2/c1-5-3-6(2)8-4-7-5/h4H,1-2H3,(H,7,8)
InChIKeyPYZPNOZIAQRKQS-UHFFFAOYSA-N
XLogP1.02
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(Z)-3-fluorobut-2-en-2-yl]-N'-methylmethanimidamide
CID 123336063
Carbanide;5-methyl-1,4-dihydroimidazol-4-ide;tungsten(2+)
CID 54681562
5,6-Dimethyl-1,4-dihydropyrimidine
CID 58863324
N-but-2-en-2-yl-N'-methylmethanimidamide
CID 59874817
Carbanide;5-methyl-1,4-dihydroimidazol-4-ide;yttrium
CID 59919462
N,6-dimethyl-1,4-dihydropyrimidin-5-amine
CID 89418734
N'-methyl-N-(3-methylbut-2-en-2-yl)methanimidamide
CID 90315791
5,6-Dimethyl-1,4-dihydropyrimidin-4-amine
CID 90453936
N-[(E)-but-2-en-2-yl]-N'-methylmethanimidamide
CID 90807212
N'-methyl-N-prop-1-en-2-ylmethanimidamide
CID 90883125
N'-ethyl-N-prop-1-en-2-ylmethanimidamide
CID 91052461
N-[(Z)-but-2-en-2-yl]-N'-methylmethanimidamide
CID 91073964

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1H-pyrimidine?
The IUPAC name of 4,6-dimethyl-1H-pyrimidine (CID 176543833) is 4,6-dimethyl-1H-pyrimidine.
What is the SMILES notation for 4,6-dimethyl-1H-pyrimidine?
The canonical SMILES for 4,6-dimethyl-1H-pyrimidine is CC1=C=C(C)NC=N1.
What is the InChIKey of 4,6-dimethyl-1H-pyrimidine?
The InChIKey is PYZPNOZIAQRKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2/c1-5-3-6(2)8-4-7-5/h4H,1-2H3,(H,7,8).
What are the key properties of 4,6-dimethyl-1H-pyrimidine?
4,6-dimethyl-1H-pyrimidine has a molecular weight of 108.14 g/mol, XLogP of 1.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1H-pyrimidine is sourced from PubChem (CID 176543833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).