3-(4-methoxy-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl)-N-methylpropan-1-amine

C12H19N3O2 — CID 105499150

IUPAC3-(4-methoxy-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl)-N-methylpropan-1-amine
SMILESCNCCCc1nc2c(c(OC)n1)CCOC2
InChIInChI=1S/C12H19N3O2/c1-13-6-3-4-11-14-10-8-17-7-5-9(10)12(15-11)16-2/h13H,3-8H2,1-2H3
InChIKeyUSENEEHQFAKFJI-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.71
Rot. Bonds5

About 3-(4-methoxy-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl)-N-methylpropan-1-amine

3-(4-methoxy-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl)-N-methylpropan-1-amine (PubChem CID 105499150) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-(4-methoxy-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(4-methoxy-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl)-N-methylpropan-1-amine
PubChem CID105499150
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-(4-methoxy-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl)-N-methylpropan-1-amine
SMILESCNCCCc1nc2c(c(OC)n1)CCOC2
InChIInChI=1S/C12H19N3O2/c1-13-6-3-4-11-14-10-8-17-7-5-9(10)12(15-11)16-2/h13H,3-8H2,1-2H3
InChIKeyUSENEEHQFAKFJI-UHFFFAOYSA-N
XLogP0.71
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxy-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl)ethanamine
CID 105462878
N-methyl-3-(4-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)propan-1-amine
CID 105477904
3-(4-methyl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl)propan-1-amine
CID 105460666
N-methyl-3-(4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)propan-1-amine
CID 105493609
4-methoxy-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-2-amine
CID 105448888
2-chloro-4-methoxy-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine
CID 105468148
2-(2-methoxyethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106471922
2-(3-aminopropyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 105461903
4-methoxy-2-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 115025312
N'-(4-methoxy-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)propane-1,3-diamine
CID 83839420
[2-[(4-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
CID 106473449
2-methoxy-6,8-dihydro-5H-pyrano[3,4-b]pyridin-3-amine
CID 105438665

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(4-methoxy-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl)-N-methylpropan-1-amine (CID 105499150) is 3-(4-methoxy-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(4-methoxy-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(4-methoxy-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl)-N-methylpropan-1-amine is CNCCCc1nc2c(c(OC)n1)CCOC2.
What is the InChIKey of 3-(4-methoxy-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl)-N-methylpropan-1-amine?
The InChIKey is USENEEHQFAKFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-13-6-3-4-11-14-10-8-17-7-5-9(10)12(15-11)16-2/h13H,3-8H2,1-2H3.
What are the key properties of 3-(4-methoxy-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl)-N-methylpropan-1-amine?
3-(4-methoxy-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl)-N-methylpropan-1-amine has a molecular weight of 237.30 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 105499150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).