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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Related Compounds

N-methyl-1-(2-methylsulfanyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl)methanamine
CID 83871703
2-methyl-4-propan-2-yloxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 172576454
1-N-(2-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)propane-1,2-diamine
CID 83838851
2-(2-methyl-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-yl)acetic acid
CID 83862857
N-methyl-3-(4-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)propan-1-amine
CID 105477904
N-methyl-1-(1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-yl)methanamine
CID 83862575
4-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-one
CID 105432959
N-methyl-1-(2-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)methanamine
CID 83862303
2-tert-butyl-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472086
(2-methyl-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl)methanamine
CID 82414576
6-bromo-N,7-dimethyl-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine
CID 106473322
3-methyl-2,4,6,7-tetrahydropyrano[4,3-c]pyrazole
CID 70661479

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).