2-(2-ethylpyrazol-3-yl)-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine

C16H23N5 — CID 114557225

IUPAC2-(2-ethylpyrazol-3-yl)-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine
SMILESCCn1nccc1-c1ncc2c(n1)CC(C)(C)CC2NC
InChIInChI=1S/C16H23N5/c1-5-21-14(6-7-19-21)15-18-10-11-12(17-4)8-16(2,3)9-13(11)20-15/h6-7,10,12,17H,5,8-9H2,1-4H3
InChIKeyCMBDDIYXKNLDOR-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.59
Rot. Bonds3

About 2-(2-ethylpyrazol-3-yl)-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine

2-(2-ethylpyrazol-3-yl)-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine (PubChem CID 114557225) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(2-ethylpyrazol-3-yl)-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine.

Molecular Properties

Compound Name2-(2-ethylpyrazol-3-yl)-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine
PubChem CID114557225
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name2-(2-ethylpyrazol-3-yl)-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine
SMILESCCn1nccc1-c1ncc2c(n1)CC(C)(C)CC2NC
InChIInChI=1S/C16H23N5/c1-5-21-14(6-7-19-21)15-18-10-11-12(17-4)8-16(2,3)9-13(11)20-15/h6-7,10,12,17H,5,8-9H2,1-4H3
InChIKeyCMBDDIYXKNLDOR-UHFFFAOYSA-N
XLogP2.59
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpyrazol-3-yl)-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine?
The IUPAC name of 2-(2-ethylpyrazol-3-yl)-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine (CID 114557225) is 2-(2-ethylpyrazol-3-yl)-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine.
What is the SMILES notation for 2-(2-ethylpyrazol-3-yl)-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine?
The canonical SMILES for 2-(2-ethylpyrazol-3-yl)-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine is CCn1nccc1-c1ncc2c(n1)CC(C)(C)CC2NC.
What is the InChIKey of 2-(2-ethylpyrazol-3-yl)-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine?
The InChIKey is CMBDDIYXKNLDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-5-21-14(6-7-19-21)15-18-10-11-12(17-4)8-16(2,3)9-13(11)20-15/h6-7,10,12,17H,5,8-9H2,1-4H3.
What are the key properties of 2-(2-ethylpyrazol-3-yl)-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine?
2-(2-ethylpyrazol-3-yl)-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine has a molecular weight of 285.39 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpyrazol-3-yl)-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine is sourced from PubChem (CID 114557225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).