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

C9H13N3O — CID 106472396

IUPACN-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCCNc1ncnc2c1COCC2
InChIInChI=1S/C9H13N3O/c1-2-10-9-7-5-13-4-3-8(7)11-6-12-9/h6H,2-5H2,1H3,(H,10,11,12)
InChIKeyTXSBJYPMGCQXLN-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.98
Rot. Bonds2

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

N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (PubChem CID 106472396) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
PubChem CID106472396
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC NameN-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCCNc1ncnc2c1COCC2
InChIInChI=1S/C9H13N3O/c1-2-10-9-7-5-13-4-3-8(7)11-6-12-9/h6H,2-5H2,1H3,(H,10,11,12)
InChIKeyTXSBJYPMGCQXLN-UHFFFAOYSA-N
XLogP0.98
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472169
N-[(5-methoxypyrimidin-2-yl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 166365675
N,2-diethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472434
N-ethyl-2-(6-methoxypyrimidin-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472486
N-ethyl-2-pyrazin-2-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472494
N-ethyl-2-(4-methylsulfanylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472694
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
(1S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)-2-methylpropan-1-amine
CID 83859046
2-(3,5-dibromo-2-pyridinyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472412
2-(4-bromo-5-methylthiophen-2-yl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472680
2-(2-chlorophenyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472339

Frequently Asked Questions

What is the IUPAC name of N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (CID 106472396) is N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is CCNc1ncnc2c1COCC2.
What is the InChIKey of N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The InChIKey is TXSBJYPMGCQXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-2-10-9-7-5-13-4-3-8(7)11-6-12-9/h6H,2-5H2,1H3,(H,10,11,12).
What are the key properties of N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine has a molecular weight of 179.22 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 106472396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).