1,4-dimethyl-5-methylidene-2H-pyrido[2,3-d]pyrimidin-2-ide;yttrium(3+)

C10H10N3Y+2 — CID 23541593

IUPAC1,4-dimethyl-5-methylidene-2H-pyrido[2,3-d]pyrimidin-2-ide;yttrium(3+)
SMILESC=c1ccnc2c1=C(C)N=[C-]N2C.[Y+3]
InChIInChI=1S/C10H10N3.Y/c1-7-4-5-11-10-9(7)8(2)12-6-13(10)3;/h4-5H,1H2,2-3H3;/q-1;+3
InChIKeyPEYLWDCMRSHNEW-UHFFFAOYSA-N
MW261.12 g/mol
LogP-0.03
Rot. Bonds

About 1,4-dimethyl-5-methylidene-2H-pyrido[2,3-d]pyrimidin-2-ide;yttrium(3+)

1,4-dimethyl-5-methylidene-2H-pyrido[2,3-d]pyrimidin-2-ide;yttrium(3+) (PubChem CID 23541593) has the molecular formula C10H10N3Y+2 and a molecular weight of 261.12 g/mol. Its IUPAC name is 1,4-dimethyl-5-methylidene-2H-pyrido[2,3-d]pyrimidin-2-ide;yttrium(3+).

Molecular Properties

Compound Name1,4-dimethyl-5-methylidene-2H-pyrido[2,3-d]pyrimidin-2-ide;yttrium(3+)
PubChem CID23541593
Molecular FormulaC10H10N3Y+2
Molecular Weight261.12 g/mol
Exact Mass260.99
IUPAC Name1,4-dimethyl-5-methylidene-2H-pyrido[2,3-d]pyrimidin-2-ide;yttrium(3+)
SMILESC=c1ccnc2c1=C(C)N=[C-]N2C.[Y+3]
InChIInChI=1S/C10H10N3.Y/c1-7-4-5-11-10-9(7)8(2)12-6-13(10)3;/h4-5H,1H2,2-3H3;/q-1;+3
InChIKeyPEYLWDCMRSHNEW-UHFFFAOYSA-N
XLogP-0.03
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,13-Diazatetracyclo[7.5.1.05,15.010,14]pentadeca-2,5(15),6,9,11,13-hexaene
CID 21887297
2,3-Dimethyl-4-methylidenepyrido[1,2-a]pyrimidine
CID 54479691
N-cyclohexa-1,3-dien-1-yl-N-methyl-3,4-dihydropyridin-2-amine
CID 57083440
1H-pyrido[2,1-b]quinazoline
CID 57105532
3H-pyrido[2,1-b]quinazoline
CID 57137694
4,8-dimethyl-5-methylidene-2H-pyrido[2,3-d]pyrimidin-2-ide;yttrium
CID 58666523
1,4-dimethyl-5-methylidene-2H-pyrido[2,3-d]pyrimidin-2-ide;yttrium
CID 58666531
3,3,7-Trimethyl-2-methylidenepyrrolo[2,3-b]pyridine
CID 60101140
2,10-Diazatetracyclo[10.2.1.02,11.04,9]pentadeca-1(14),3,6,8,10,12-hexaene
CID 67872328
(5Z,7Z)-2-cyclohexa-1,3-dien-1-yl-1-methyl-4-methylidene-1,3-diazocine
CID 68215789
(7Z)-2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-methyl-4-methylidene-5,6-dihydro-1,3-diazocine
CID 89053548
9-ethyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine
CID 89691873

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-5-methylidene-2H-pyrido[2,3-d]pyrimidin-2-ide;yttrium(3+)?
The IUPAC name of 1,4-dimethyl-5-methylidene-2H-pyrido[2,3-d]pyrimidin-2-ide;yttrium(3+) (CID 23541593) is 1,4-dimethyl-5-methylidene-2H-pyrido[2,3-d]pyrimidin-2-ide;yttrium(3+).
What is the SMILES notation for 1,4-dimethyl-5-methylidene-2H-pyrido[2,3-d]pyrimidin-2-ide;yttrium(3+)?
The canonical SMILES for 1,4-dimethyl-5-methylidene-2H-pyrido[2,3-d]pyrimidin-2-ide;yttrium(3+) is C=c1ccnc2c1=C(C)N=[C-]N2C.[Y+3].
What is the InChIKey of 1,4-dimethyl-5-methylidene-2H-pyrido[2,3-d]pyrimidin-2-ide;yttrium(3+)?
The InChIKey is PEYLWDCMRSHNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N3.Y/c1-7-4-5-11-10-9(7)8(2)12-6-13(10)3;/h4-5H,1H2,2-3H3;/q-1;+3.
What are the key properties of 1,4-dimethyl-5-methylidene-2H-pyrido[2,3-d]pyrimidin-2-ide;yttrium(3+)?
1,4-dimethyl-5-methylidene-2H-pyrido[2,3-d]pyrimidin-2-ide;yttrium(3+) has a molecular weight of 261.12 g/mol, XLogP of -0.03, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-5-methylidene-2H-pyrido[2,3-d]pyrimidin-2-ide;yttrium(3+) is sourced from PubChem (CID 23541593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).