7,8-dimethyl-1,2-dihydropyrido[4,3-d]pyrimidin-2-id-4-imine;yttrium

C9H9N4Y- — CID 166490807

IUPAC7,8-dimethyl-1,2-dihydropyrido[4,3-d]pyrimidin-2-id-4-imine;yttrium
SMILES[H]/N=c1\n[c-][nH]c2c(C)c(C)ncc12.[Y]
InChIInChI=1S/C9H9N4.Y/c1-5-6(2)11-3-7-8(5)12-4-13-9(7)10;/h3H,1-2H3,(H2,10,12,13);/q-1;
InChIKeyCFOCMMZZEIQGOT-UHFFFAOYSA-N
MW262.10 g/mol
LogP0.85
Rot. Bonds

About 7,8-dimethyl-1,2-dihydropyrido[4,3-d]pyrimidin-2-id-4-imine;yttrium

7,8-dimethyl-1,2-dihydropyrido[4,3-d]pyrimidin-2-id-4-imine;yttrium (PubChem CID 166490807) has the molecular formula C9H9N4Y- and a molecular weight of 262.10 g/mol. Its IUPAC name is 7,8-dimethyl-1,2-dihydropyrido[4,3-d]pyrimidin-2-id-4-imine;yttrium.

Molecular Properties

Compound Name7,8-dimethyl-1,2-dihydropyrido[4,3-d]pyrimidin-2-id-4-imine;yttrium
PubChem CID166490807
Molecular FormulaC9H9N4Y-
Molecular Weight262.10 g/mol
Exact Mass261.99
IUPAC Name7,8-dimethyl-1,2-dihydropyrido[4,3-d]pyrimidin-2-id-4-imine;yttrium
SMILES[H]/N=c1\n[c-][nH]c2c(C)c(C)ncc12.[Y]
InChIInChI=1S/C9H9N4.Y/c1-5-6(2)11-3-7-8(5)12-4-13-9(7)10;/h3H,1-2H3,(H2,10,12,13);/q-1;
InChIKeyCFOCMMZZEIQGOT-UHFFFAOYSA-N
XLogP0.85
TPSA65.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.10
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

3,5-Diethylpyridin-4-amine
CID 591654
5-Methyl-N-propyl-4-(trifluoromethyl)-1H-pyrido[4,3-d]pyrimidin-4-amine
CID 45490285
2,3,5-Trimethylpyridin-4-amine
CID 68738849
5-Fluoro-2,3-dimethylpyridin-4-amine
CID 123421465
(E)-2-fluoro-N'-[3-[5-methyl-2-(methyliminomethyl)-3-pyridinyl]prop-1-en-2-yl]but-2-enimidamide
CID 130344237
3-[(E)-1-aminoprop-1-enyl]-2-methyl-5-(trifluoromethyl)pyridin-4-amine
CID 143895454
3-(1,1-Difluoroethyl)-5-ethanimidoyl-2-methylpyridin-4-amine
CID 144598713
2,2,2-trifluoro-N-[1-[(6-methylpyridin-3-yl)methyl]pyridin-2-ylidene]ethanimidamide
CID 145631395
N-(2-fluoro-3-methyl-2,3-dihydropyridin-6-yl)-2-methyl-5-(methyliminomethyl)pyridin-4-amine
CID 148445873
2,3,5-Tris(fluoromethyl)pyridin-4-amine
CID 149936292
6-Methyl-4-(2,2,2-trifluoroethylamino)pyridine-3-carboximidamide
CID 170084987
(3E,4Z)-4-butan-2-ylidene-3-[[[6-(3-fluorobutyl)-5-methyl-3-pyridinyl]methylamino]methylidene]-N-methylpyridin-2-amine
CID 173733189

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-1,2-dihydropyrido[4,3-d]pyrimidin-2-id-4-imine;yttrium?
The IUPAC name of 7,8-dimethyl-1,2-dihydropyrido[4,3-d]pyrimidin-2-id-4-imine;yttrium (CID 166490807) is 7,8-dimethyl-1,2-dihydropyrido[4,3-d]pyrimidin-2-id-4-imine;yttrium.
What is the SMILES notation for 7,8-dimethyl-1,2-dihydropyrido[4,3-d]pyrimidin-2-id-4-imine;yttrium?
The canonical SMILES for 7,8-dimethyl-1,2-dihydropyrido[4,3-d]pyrimidin-2-id-4-imine;yttrium is [H]/N=c1\n[c-][nH]c2c(C)c(C)ncc12.[Y].
What is the InChIKey of 7,8-dimethyl-1,2-dihydropyrido[4,3-d]pyrimidin-2-id-4-imine;yttrium?
The InChIKey is CFOCMMZZEIQGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N4.Y/c1-5-6(2)11-3-7-8(5)12-4-13-9(7)10;/h3H,1-2H3,(H2,10,12,13);/q-1;.
What are the key properties of 7,8-dimethyl-1,2-dihydropyrido[4,3-d]pyrimidin-2-id-4-imine;yttrium?
7,8-dimethyl-1,2-dihydropyrido[4,3-d]pyrimidin-2-id-4-imine;yttrium has a molecular weight of 262.10 g/mol, XLogP of 0.85, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-1,2-dihydropyrido[4,3-d]pyrimidin-2-id-4-imine;yttrium is sourced from PubChem (CID 166490807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).