4-methyl-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;dihydrochloride

C13H16Cl2N4 — CID 71298613

IUPAC4-methyl-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;dihydrochloride
SMILESCc1nc(-c2ccccn2)nc2c1CCNC2.Cl.Cl
InChIInChI=1S/C13H14N4.2ClH/c1-9-10-5-7-14-8-12(10)17-13(16-9)11-4-2-3-6-15-11;;/h2-4,6,14H,5,7-8H2,1H3;2*1H
InChIKeySREAZSUIACUYNE-UHFFFAOYSA-N
MW299.20 g/mol
LogP2.34
Rot. Bonds1

About 4-methyl-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;dihydrochloride

4-methyl-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;dihydrochloride (PubChem CID 71298613) has the molecular formula C13H16Cl2N4 and a molecular weight of 299.20 g/mol. Its IUPAC name is 4-methyl-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;dihydrochloride.

Molecular Properties

Compound Name4-methyl-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;dihydrochloride
PubChem CID71298613
Molecular FormulaC13H16Cl2N4
Molecular Weight299.20 g/mol
Exact Mass298.08
IUPAC Name4-methyl-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;dihydrochloride
SMILESCc1nc(-c2ccccn2)nc2c1CCNC2.Cl.Cl
InChIInChI=1S/C13H14N4.2ClH/c1-9-10-5-7-14-8-12(10)17-13(16-9)11-4-2-3-6-15-11;;/h2-4,6,14H,5,7-8H2,1H3;2*1H
InChIKeySREAZSUIACUYNE-UHFFFAOYSA-N
XLogP2.34
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.20
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;dihydrochloride?
The IUPAC name of 4-methyl-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;dihydrochloride (CID 71298613) is 4-methyl-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;dihydrochloride.
What is the SMILES notation for 4-methyl-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;dihydrochloride?
The canonical SMILES for 4-methyl-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;dihydrochloride is Cc1nc(-c2ccccn2)nc2c1CCNC2.Cl.Cl.
What is the InChIKey of 4-methyl-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;dihydrochloride?
The InChIKey is SREAZSUIACUYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4.2ClH/c1-9-10-5-7-14-8-12(10)17-13(16-9)11-4-2-3-6-15-11;;/h2-4,6,14H,5,7-8H2,1H3;2*1H.
What are the key properties of 4-methyl-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;dihydrochloride?
4-methyl-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;dihydrochloride has a molecular weight of 299.20 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;dihydrochloride is sourced from PubChem (CID 71298613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).