1,6-dimethylpyrimidin-2-imine

C6H9N3 — CID 171383916

IUPAC1,6-dimethylpyrimidin-2-imine
SMILES[H]/N=c1\nccc(C)n1C
InChIInChI=1S/C6H9N3/c1-5-3-4-8-6(7)9(5)2/h3-4,7H,1-2H3/b7-6+
InChIKeyHLBGKDIKRBSUJQ-VOTSOKGWSA-N
MW123.16 g/mol
LogP0.21
Rot. Bonds

About 1,6-dimethylpyrimidin-2-imine

1,6-dimethylpyrimidin-2-imine (PubChem CID 171383916) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 1,6-dimethylpyrimidin-2-imine.

Molecular Properties

Compound Name1,6-dimethylpyrimidin-2-imine
PubChem CID171383916
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name1,6-dimethylpyrimidin-2-imine
SMILES[H]/N=c1\nccc(C)n1C
InChIInChI=1S/C6H9N3/c1-5-3-4-8-6(7)9(5)2/h3-4,7H,1-2H3/b7-6+
InChIKeyHLBGKDIKRBSUJQ-VOTSOKGWSA-N
XLogP0.21
TPSA41.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrimidine, 1-ethyl-1,2-dihydro-2-imino-
CID 119098027
Pyrimidine, 1,2-dihydro-2-imino-1-propyl-
CID 163661769
Pyrimidine, 1-allyl-1,2-dihydro-2-imino-
CID 129348178
1,6-Dimethyl-2-methylidenepyrimidine
CID 58719906
1-[(Z)-prop-1-enyl]pyrimidin-2-imine
CID 89843154
(4,6-dimethyl-2H-pyrimidin-1-yl)methanimine
CID 121328459
N,1,6-trimethylpyrimidin-2-imine
CID 135258657
1,6-dimethyl-2H-pyrimidine
CID 137427369
acetylene;N,1,6-trimethylpyrimidin-2-imine
CID 142889505
1,6-dimethyl-2H-pyrimidin-2-amine
CID 160228735
N-methyl-N-(3-methyliminoprop-1-en-2-yl)ethanimidamide
CID 174329674
N-(4-methyliminobut-2-en-2-yl)methanimidamide
CID 176520922

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethylpyrimidin-2-imine?
The IUPAC name of 1,6-dimethylpyrimidin-2-imine (CID 171383916) is 1,6-dimethylpyrimidin-2-imine.
What is the SMILES notation for 1,6-dimethylpyrimidin-2-imine?
The canonical SMILES for 1,6-dimethylpyrimidin-2-imine is [H]/N=c1\nccc(C)n1C.
What is the InChIKey of 1,6-dimethylpyrimidin-2-imine?
The InChIKey is HLBGKDIKRBSUJQ-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H9N3/c1-5-3-4-8-6(7)9(5)2/h3-4,7H,1-2H3/b7-6+.
What are the key properties of 1,6-dimethylpyrimidin-2-imine?
1,6-dimethylpyrimidin-2-imine has a molecular weight of 123.16 g/mol, XLogP of 0.21, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethylpyrimidin-2-imine is sourced from PubChem (CID 171383916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).