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

C8H12N4 — CID 112703747

IUPAC4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
SMILESCc1nc(N)nc2c1CCNC2
InChIInChI=1S/C8H12N4/c1-5-6-2-3-10-4-7(6)12-8(9)11-5/h10H,2-4H2,1H3,(H2,9,11,12)
InChIKeySZIWEXCJVHXJPK-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.01
Rot. Bonds

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

4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine (PubChem CID 112703747) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
PubChem CID112703747
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
SMILESCc1nc(N)nc2c1CCNC2
InChIInChI=1S/C8H12N4/c1-5-6-2-3-10-4-7(6)12-8(9)11-5/h10H,2-4H2,1H3,(H2,9,11,12)
InChIKeySZIWEXCJVHXJPK-UHFFFAOYSA-N
XLogP0.01
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
The IUPAC name of 4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine (CID 112703747) is 4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
The canonical SMILES for 4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine is Cc1nc(N)nc2c1CCNC2.
What is the InChIKey of 4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
The InChIKey is SZIWEXCJVHXJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-5-6-2-3-10-4-7(6)12-8(9)11-5/h10H,2-4H2,1H3,(H2,9,11,12).
What are the key properties of 4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine has a molecular weight of 164.21 g/mol, XLogP of 0.01, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 112703747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).