N-ethyl-2-(2-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine

C16H19N3O2 — CID 106472423

IUPACN-ethyl-2-(2-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCCNc1nc(-c2ccccc2OC)nc2c1COCC2
InChIInChI=1S/C16H19N3O2/c1-3-17-15-12-10-21-9-8-13(12)18-16(19-15)11-6-4-5-7-14(11)20-2/h4-7H,3,8-10H2,1-2H3,(H,17,18,19)
InChIKeyDCRHTUIRBAIAOB-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.66
Rot. Bonds4

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

N-ethyl-2-(2-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (PubChem CID 106472423) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-ethyl-2-(2-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(2-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
PubChem CID106472423
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-ethyl-2-(2-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCCNc1nc(-c2ccccc2OC)nc2c1COCC2
InChIInChI=1S/C16H19N3O2/c1-3-17-15-12-10-21-9-8-13(12)18-16(19-15)11-6-4-5-7-14(11)20-2/h4-7H,3,8-10H2,1-2H3,(H,17,18,19)
InChIKeyDCRHTUIRBAIAOB-UHFFFAOYSA-N
XLogP2.66
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
CID 106473417
2-(2-chlorophenyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472339
2-(3,4-dimethylphenyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472702
N-ethyl-2-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472394
N-ethyl-2-(6-methoxypyrimidin-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472486
N-ethyl-2-(2-methoxypropan-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472464
2-(5-chloro-2-pyridinyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472466
N-ethyl-2-(4-methylsulfanylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472694
[2-(4-chloro-2-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
CID 106819770
2-(4-chloro-3-fluorophenyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472729
N,2-diethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472434
2-(3-bromothiophen-2-yl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472733

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-(2-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (CID 106472423) is N-ethyl-2-(2-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-(2-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-(2-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is CCNc1nc(-c2ccccc2OC)nc2c1COCC2.
What is the InChIKey of N-ethyl-2-(2-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The InChIKey is DCRHTUIRBAIAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-3-17-15-12-10-21-9-8-13(12)18-16(19-15)11-6-4-5-7-14(11)20-2/h4-7H,3,8-10H2,1-2H3,(H,17,18,19).
What are the key properties of N-ethyl-2-(2-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
N-ethyl-2-(2-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine has a molecular weight of 285.35 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 106472423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).