N-ethyl-2-(2-methylpyrazol-3-yl)-5,6,7,8-tetrahydroquinazolin-5-amine

C14H19N5 — CID 114554257

IUPACN-ethyl-2-(2-methylpyrazol-3-yl)-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCCNC1CCCc2nc(-c3ccnn3C)ncc21
InChIInChI=1S/C14H19N5/c1-3-15-11-5-4-6-12-10(11)9-16-14(18-12)13-7-8-17-19(13)2/h7-9,11,15H,3-6H2,1-2H3
InChIKeyNEMIJOADWGTCDU-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.86
Rot. Bonds3

About N-ethyl-2-(2-methylpyrazol-3-yl)-5,6,7,8-tetrahydroquinazolin-5-amine

N-ethyl-2-(2-methylpyrazol-3-yl)-5,6,7,8-tetrahydroquinazolin-5-amine (PubChem CID 114554257) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is N-ethyl-2-(2-methylpyrazol-3-yl)-5,6,7,8-tetrahydroquinazolin-5-amine.

Molecular Properties

Compound NameN-ethyl-2-(2-methylpyrazol-3-yl)-5,6,7,8-tetrahydroquinazolin-5-amine
PubChem CID114554257
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC NameN-ethyl-2-(2-methylpyrazol-3-yl)-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCCNC1CCCc2nc(-c3ccnn3C)ncc21
InChIInChI=1S/C14H19N5/c1-3-15-11-5-4-6-12-10(11)9-16-14(18-12)13-7-8-17-19(13)2/h7-9,11,15H,3-6H2,1-2H3
InChIKeyNEMIJOADWGTCDU-UHFFFAOYSA-N
XLogP1.86
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-pyrimidin-2-yl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62009306
2-(3,4-dichlorophenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62008112
2-(5-bromothiophen-2-yl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62008297
N-propyl-2-pyrimidin-2-yl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62009879
N-ethyl-2-(4-methyl-3-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385347
N-ethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62009095
N-ethyl-2-(2H-triazol-4-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385367
N-ethyl-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62009305
N-ethyl-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385247
N-ethyl-2-(2-methylcyclopropyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 65422387
N-propyl-2-pyridin-4-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385465
2-(3-methylfuran-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 104806519

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methylpyrazol-3-yl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The IUPAC name of N-ethyl-2-(2-methylpyrazol-3-yl)-5,6,7,8-tetrahydroquinazolin-5-amine (CID 114554257) is N-ethyl-2-(2-methylpyrazol-3-yl)-5,6,7,8-tetrahydroquinazolin-5-amine.
What is the SMILES notation for N-ethyl-2-(2-methylpyrazol-3-yl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The canonical SMILES for N-ethyl-2-(2-methylpyrazol-3-yl)-5,6,7,8-tetrahydroquinazolin-5-amine is CCNC1CCCc2nc(-c3ccnn3C)ncc21.
What is the InChIKey of N-ethyl-2-(2-methylpyrazol-3-yl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The InChIKey is NEMIJOADWGTCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-3-15-11-5-4-6-12-10(11)9-16-14(18-12)13-7-8-17-19(13)2/h7-9,11,15H,3-6H2,1-2H3.
What are the key properties of N-ethyl-2-(2-methylpyrazol-3-yl)-5,6,7,8-tetrahydroquinazolin-5-amine?
N-ethyl-2-(2-methylpyrazol-3-yl)-5,6,7,8-tetrahydroquinazolin-5-amine has a molecular weight of 257.34 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methylpyrazol-3-yl)-5,6,7,8-tetrahydroquinazolin-5-amine is sourced from PubChem (CID 114554257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).