2-methyl-6-(oxan-4-ylmethoxy)pyrido[3,4-d]pyrimidin-4-amine

C14H18N4O2 — CID 175785046

IUPAC2-methyl-6-(oxan-4-ylmethoxy)pyrido[3,4-d]pyrimidin-4-amine
SMILESCc1nc(N)c2cc(OCC3CCOCC3)ncc2n1
InChIInChI=1S/C14H18N4O2/c1-9-17-12-7-16-13(6-11(12)14(15)18-9)20-8-10-2-4-19-5-3-10/h6-7,10H,2-5,8H2,1H3,(H2,15,17,18)
InChIKeySHPMBGXXNRYAEY-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.72
Rot. Bonds3

About 2-methyl-6-(oxan-4-ylmethoxy)pyrido[3,4-d]pyrimidin-4-amine

2-methyl-6-(oxan-4-ylmethoxy)pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 175785046) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-methyl-6-(oxan-4-ylmethoxy)pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-(oxan-4-ylmethoxy)pyrido[3,4-d]pyrimidin-4-amine
PubChem CID175785046
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-methyl-6-(oxan-4-ylmethoxy)pyrido[3,4-d]pyrimidin-4-amine
SMILESCc1nc(N)c2cc(OCC3CCOCC3)ncc2n1
InChIInChI=1S/C14H18N4O2/c1-9-17-12-7-16-13(6-11(12)14(15)18-9)20-8-10-2-4-19-5-3-10/h6-7,10H,2-5,8H2,1H3,(H2,15,17,18)
InChIKeySHPMBGXXNRYAEY-UHFFFAOYSA-N
XLogP1.72
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(oxan-4-ylmethoxy)pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-methyl-6-(oxan-4-ylmethoxy)pyrido[3,4-d]pyrimidin-4-amine (CID 175785046) is 2-methyl-6-(oxan-4-ylmethoxy)pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-(oxan-4-ylmethoxy)pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-(oxan-4-ylmethoxy)pyrido[3,4-d]pyrimidin-4-amine is Cc1nc(N)c2cc(OCC3CCOCC3)ncc2n1.
What is the InChIKey of 2-methyl-6-(oxan-4-ylmethoxy)pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is SHPMBGXXNRYAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-9-17-12-7-16-13(6-11(12)14(15)18-9)20-8-10-2-4-19-5-3-10/h6-7,10H,2-5,8H2,1H3,(H2,15,17,18).
What are the key properties of 2-methyl-6-(oxan-4-ylmethoxy)pyrido[3,4-d]pyrimidin-4-amine?
2-methyl-6-(oxan-4-ylmethoxy)pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 274.32 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(oxan-4-ylmethoxy)pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 175785046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).