N-methyl-N-(2-methyloxolan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine

C13H20N4O — CID 82740147

IUPACN-methyl-N-(2-methyloxolan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESCC1OCCC1N(C)c1ncnc2c1CNCC2
InChIInChI=1S/C13H20N4O/c1-9-12(4-6-18-9)17(2)13-10-7-14-5-3-11(10)15-8-16-13/h8-9,12,14H,3-7H2,1-2H3
InChIKeyCSJSOVDSJUKYMZ-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.74
Rot. Bonds2

About N-methyl-N-(2-methyloxolan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine

N-methyl-N-(2-methyloxolan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (PubChem CID 82740147) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-methyl-N-(2-methyloxolan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-(2-methyloxolan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
PubChem CID82740147
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-methyl-N-(2-methyloxolan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESCC1OCCC1N(C)c1ncnc2c1CNCC2
InChIInChI=1S/C13H20N4O/c1-9-12(4-6-18-9)17(2)13-10-7-14-5-3-11(10)15-8-16-13/h8-9,12,14H,3-7H2,1-2H3
InChIKeyCSJSOVDSJUKYMZ-UHFFFAOYSA-N
XLogP0.74
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methyloxolan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-N-(2-methyloxolan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (CID 82740147) is N-methyl-N-(2-methyloxolan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-N-(2-methyloxolan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-N-(2-methyloxolan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is CC1OCCC1N(C)c1ncnc2c1CNCC2.
What is the InChIKey of N-methyl-N-(2-methyloxolan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is CSJSOVDSJUKYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9-12(4-6-18-9)17(2)13-10-7-14-5-3-11(10)15-8-16-13/h8-9,12,14H,3-7H2,1-2H3.
What are the key properties of N-methyl-N-(2-methyloxolan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
N-methyl-N-(2-methyloxolan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 248.33 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methyloxolan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 82740147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).