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

C12H15N5O — CID 106472921

IUPAC2-(2-ethylpyrazol-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCCn1nccc1-c1nc(N)c2c(n1)CCOC2
InChIInChI=1S/C12H15N5O/c1-2-17-10(3-5-14-17)12-15-9-4-6-18-7-8(9)11(13)16-12/h3,5H,2,4,6-7H2,1H3,(H2,13,15,16)
InChIKeyUPUSTZPWVHGNKR-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.01
Rot. Bonds2

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

2-(2-ethylpyrazol-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (PubChem CID 106472921) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 2-(2-ethylpyrazol-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-ethylpyrazol-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
PubChem CID106472921
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name2-(2-ethylpyrazol-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCCn1nccc1-c1nc(N)c2c(n1)CCOC2
InChIInChI=1S/C12H15N5O/c1-2-17-10(3-5-14-17)12-15-9-4-6-18-7-8(9)11(13)16-12/h3,5H,2,4,6-7H2,1H3,(H2,13,15,16)
InChIKeyUPUSTZPWVHGNKR-UHFFFAOYSA-N
XLogP1.01
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpyrazol-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(2-ethylpyrazol-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (CID 106472921) is 2-(2-ethylpyrazol-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(2-ethylpyrazol-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(2-ethylpyrazol-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is CCn1nccc1-c1nc(N)c2c(n1)CCOC2.
What is the InChIKey of 2-(2-ethylpyrazol-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The InChIKey is UPUSTZPWVHGNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-2-17-10(3-5-14-17)12-15-9-4-6-18-7-8(9)11(13)16-12/h3,5H,2,4,6-7H2,1H3,(H2,13,15,16).
What are the key properties of 2-(2-ethylpyrazol-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
2-(2-ethylpyrazol-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine has a molecular weight of 245.29 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpyrazol-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 106472921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).