N-[(5-methoxypyrimidin-2-yl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine

C13H15N5O2 — CID 166365675

IUPACN-[(5-methoxypyrimidin-2-yl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCOc1cnc(CNc2ncnc3c2COCC3)nc1
InChIInChI=1S/C13H15N5O2/c1-19-9-4-14-12(15-5-9)6-16-13-10-7-20-3-2-11(10)17-8-18-13/h4-5,8H,2-3,6-7H2,1H3,(H,16,17,18)
InChIKeyYXWYJUADUMWZHY-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.96
Rot. Bonds4

About N-[(5-methoxypyrimidin-2-yl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine

N-[(5-methoxypyrimidin-2-yl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (PubChem CID 166365675) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is N-[(5-methoxypyrimidin-2-yl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(5-methoxypyrimidin-2-yl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
PubChem CID166365675
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC NameN-[(5-methoxypyrimidin-2-yl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCOc1cnc(CNc2ncnc3c2COCC3)nc1
InChIInChI=1S/C13H15N5O2/c1-19-9-4-14-12(15-5-9)6-16-13-10-7-20-3-2-11(10)17-8-18-13/h4-5,8H,2-3,6-7H2,1H3,(H,16,17,18)
InChIKeyYXWYJUADUMWZHY-UHFFFAOYSA-N
XLogP0.96
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxypyrimidin-2-yl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(5-methoxypyrimidin-2-yl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (CID 166365675) is N-[(5-methoxypyrimidin-2-yl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(5-methoxypyrimidin-2-yl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(5-methoxypyrimidin-2-yl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is COc1cnc(CNc2ncnc3c2COCC3)nc1.
What is the InChIKey of N-[(5-methoxypyrimidin-2-yl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The InChIKey is YXWYJUADUMWZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-19-9-4-14-12(15-5-9)6-16-13-10-7-20-3-2-11(10)17-8-18-13/h4-5,8H,2-3,6-7H2,1H3,(H,16,17,18).
What are the key properties of N-[(5-methoxypyrimidin-2-yl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
N-[(5-methoxypyrimidin-2-yl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine has a molecular weight of 273.30 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxypyrimidin-2-yl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 166365675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).