5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine;dihydrochloride

C7H12Cl2N4 — CID 86263348

IUPAC5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine;dihydrochloride
SMILESCl.Cl.Nc1ncc2c(n1)CNCC2
InChIInChI=1S/C7H10N4.2ClH/c8-7-10-3-5-1-2-9-4-6(5)11-7;;/h3,9H,1-2,4H2,(H2,8,10,11);2*1H
InChIKeyASALWYKERCYNIS-UHFFFAOYSA-N
MW223.11 g/mol
LogP0.55
Rot. Bonds

About 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine;dihydrochloride

5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine;dihydrochloride (PubChem CID 86263348) has the molecular formula C7H12Cl2N4 and a molecular weight of 223.11 g/mol. Its IUPAC name is 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine;dihydrochloride.

Molecular Properties

Compound Name5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine;dihydrochloride
PubChem CID86263348
Molecular FormulaC7H12Cl2N4
Molecular Weight223.11 g/mol
Exact Mass222.04
IUPAC Name5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine;dihydrochloride
SMILESCl.Cl.Nc1ncc2c(n1)CNCC2
InChIInChI=1S/C7H10N4.2ClH/c8-7-10-3-5-1-2-9-4-6(5)11-7;;/h3,9H,1-2,4H2,(H2,8,10,11);2*1H
InChIKeyASALWYKERCYNIS-UHFFFAOYSA-N
XLogP0.55
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.11
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine;dihydrochloride?
The IUPAC name of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine;dihydrochloride (CID 86263348) is 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine;dihydrochloride.
What is the SMILES notation for 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine;dihydrochloride?
The canonical SMILES for 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine;dihydrochloride is Cl.Cl.Nc1ncc2c(n1)CNCC2.
What is the InChIKey of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine;dihydrochloride?
The InChIKey is ASALWYKERCYNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4.2ClH/c8-7-10-3-5-1-2-9-4-6(5)11-7;;/h3,9H,1-2,4H2,(H2,8,10,11);2*1H.
What are the key properties of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine;dihydrochloride?
5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine;dihydrochloride has a molecular weight of 223.11 g/mol, XLogP of 0.55, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine;dihydrochloride is sourced from PubChem (CID 86263348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).