N-methyl-1-(2-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)methanamine

C10H15N3O — CID 83847331

IUPACN-methyl-1-(2-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)methanamine
SMILESCNCc1nc(C)nc2c1COCC2
InChIInChI=1S/C10H15N3O/c1-7-12-9-3-4-14-6-8(9)10(13-7)5-11-2/h11H,3-6H2,1-2H3
InChIKeyPFTZUIXPLSDWRF-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.58
Rot. Bonds2

About N-methyl-1-(2-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)methanamine

N-methyl-1-(2-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)methanamine (PubChem CID 83847331) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is N-methyl-1-(2-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)methanamine
PubChem CID83847331
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC NameN-methyl-1-(2-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)methanamine
SMILESCNCc1nc(C)nc2c1COCC2
InChIInChI=1S/C10H15N3O/c1-7-12-9-3-4-14-6-8(9)10(13-7)5-11-2/h11H,3-6H2,1-2H3
InChIKeyPFTZUIXPLSDWRF-UHFFFAOYSA-N
XLogP0.58
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)methanamine?
The IUPAC name of N-methyl-1-(2-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)methanamine (CID 83847331) is N-methyl-1-(2-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)methanamine.
What is the SMILES notation for N-methyl-1-(2-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)methanamine?
The canonical SMILES for N-methyl-1-(2-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)methanamine is CNCc1nc(C)nc2c1COCC2.
What is the InChIKey of N-methyl-1-(2-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)methanamine?
The InChIKey is PFTZUIXPLSDWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-7-12-9-3-4-14-6-8(9)10(13-7)5-11-2/h11H,3-6H2,1-2H3.
What are the key properties of N-methyl-1-(2-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)methanamine?
N-methyl-1-(2-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)methanamine has a molecular weight of 193.25 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)methanamine is sourced from PubChem (CID 83847331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).