2-(1-ethoxybutyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine

C13H21N3O2 — CID 106472079

IUPAC2-(1-ethoxybutyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCCCC(OCC)c1nc(N)c2c(n1)CCOC2
InChIInChI=1S/C13H21N3O2/c1-3-5-11(18-4-2)13-15-10-6-7-17-8-9(10)12(14)16-13/h11H,3-8H2,1-2H3,(H2,14,15,16)
InChIKeySEUVJPWKIHEDPA-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.01
Rot. Bonds5

About 2-(1-ethoxybutyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine

2-(1-ethoxybutyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (PubChem CID 106472079) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(1-ethoxybutyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-ethoxybutyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
PubChem CID106472079
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-(1-ethoxybutyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCCCC(OCC)c1nc(N)c2c(n1)CCOC2
InChIInChI=1S/C13H21N3O2/c1-3-5-11(18-4-2)13-15-10-6-7-17-8-9(10)12(14)16-13/h11H,3-8H2,1-2H3,(H2,14,15,16)
InChIKeySEUVJPWKIHEDPA-UHFFFAOYSA-N
XLogP2.01
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1-methoxybutyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
CID 106473568
4-chloro-2-(1-ethoxypropyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470581
2-(1-methoxybutyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 116728659
2-(ethoxymethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472035
2-(1-ethoxybutyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738899
2-(2-methoxyethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106471922
2-(ethylsulfanylmethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106471981
methyl 2-(1-ethoxybutyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylate
CID 114741842
2-[cyclopropyl(ethoxy)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 116728665
2-(4-amino-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)acetic acid
CID 105462637
2-(4-propylmorpholin-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472072
4-cyclohexyl-6-(1-ethoxybutyl)-1,3,5-triazin-2-amine
CID 116734086

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxybutyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(1-ethoxybutyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (CID 106472079) is 2-(1-ethoxybutyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(1-ethoxybutyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(1-ethoxybutyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is CCCC(OCC)c1nc(N)c2c(n1)CCOC2.
What is the InChIKey of 2-(1-ethoxybutyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The InChIKey is SEUVJPWKIHEDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-5-11(18-4-2)13-15-10-6-7-17-8-9(10)12(14)16-13/h11H,3-8H2,1-2H3,(H2,14,15,16).
What are the key properties of 2-(1-ethoxybutyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
2-(1-ethoxybutyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine has a molecular weight of 251.33 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxybutyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 106472079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).