2-(2-aminoethyl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]quinazolin-4-amine

C21H22N6 — CID 95144128

IUPAC2-(2-aminoethyl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]quinazolin-4-amine
SMILESNCCc1nc(N[C@H](Cn2cccn2)c2ccccc2)c2ccccc2n1
InChIInChI=1S/C21H22N6/c22-12-11-20-24-18-10-5-4-9-17(18)21(26-20)25-19(15-27-14-6-13-23-27)16-7-2-1-3-8-16/h1-10,13-14,19H,11-12,15,22H2,(H,24,25,26)/t19-/m1/s1
InChIKeyJHWLOHDQCFAHJC-LJQANCHMSA-N
MW358.45 g/mol
LogP3.18
Rot. Bonds7

About 2-(2-aminoethyl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]quinazolin-4-amine

2-(2-aminoethyl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]quinazolin-4-amine (PubChem CID 95144128) has the molecular formula C21H22N6 and a molecular weight of 358.45 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]quinazolin-4-amine
PubChem CID95144128
Molecular FormulaC21H22N6
Molecular Weight358.45 g/mol
Exact Mass358.19
IUPAC Name2-(2-aminoethyl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]quinazolin-4-amine
SMILESNCCc1nc(N[C@H](Cn2cccn2)c2ccccc2)c2ccccc2n1
InChIInChI=1S/C21H22N6/c22-12-11-20-24-18-10-5-4-9-17(18)21(26-20)25-19(15-27-14-6-13-23-27)16-7-2-1-3-8-16/h1-10,13-14,19H,11-12,15,22H2,(H,24,25,26)/t19-/m1/s1
InChIKeyJHWLOHDQCFAHJC-LJQANCHMSA-N
XLogP3.18
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-aminoethyl)-N-(1-phenyl-2-pyrazol-1-ylethyl)quinazolin-4-amine
CID 50980828
2-(2-aminoethyl)-N-[1-(4-methyl-2-pyridinyl)propyl]quinazolin-4-amine
CID 50958621
2-(2-aminoethyl)-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]quinazolin-4-amine
CID 95120809
5-chloro-N-(1-phenyl-2-pyrazol-1-ylethyl)pyrimidin-2-amine
CID 75376384
4-N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine
CID 95885220
2-(2-aminoethyl)-N-[(1S)-1-(3,4,5-trimethoxyphenyl)ethyl]quinazolin-4-amine
CID 95127666
N-(1-phenyl-2-pyrazol-1-ylethyl)-3-pyrazol-1-ylpropan-1-amine
CID 131952072
2-(2-aminoethyl)-N-[2-(2-chlorophenyl)ethyl]quinazolin-4-amine
CID 50967665
2-(2-aminoethyl)-N-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]quinazolin-4-amine
CID 95135430
2-(2-aminoethyl)-N-[3-(2-ethylimidazol-1-yl)propyl]quinazolin-4-amine
CID 50976321
5-cyclopropyl-N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]-1,3,4-oxadiazol-2-amine
CID 97122258
5-cyclopropyl-N-(1-phenyl-2-pyrazol-1-ylethyl)-1,3,4-oxadiazol-2-amine
CID 72867117

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]quinazolin-4-amine?
The IUPAC name of 2-(2-aminoethyl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]quinazolin-4-amine (CID 95144128) is 2-(2-aminoethyl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]quinazolin-4-amine.
What is the SMILES notation for 2-(2-aminoethyl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]quinazolin-4-amine?
The canonical SMILES for 2-(2-aminoethyl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]quinazolin-4-amine is NCCc1nc(N[C@H](Cn2cccn2)c2ccccc2)c2ccccc2n1.
What is the InChIKey of 2-(2-aminoethyl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]quinazolin-4-amine?
The InChIKey is JHWLOHDQCFAHJC-LJQANCHMSA-N. The full InChI is InChI=1S/C21H22N6/c22-12-11-20-24-18-10-5-4-9-17(18)21(26-20)25-19(15-27-14-6-13-23-27)16-7-2-1-3-8-16/h1-10,13-14,19H,11-12,15,22H2,(H,24,25,26)/t19-/m1/s1.
What are the key properties of 2-(2-aminoethyl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]quinazolin-4-amine?
2-(2-aminoethyl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]quinazolin-4-amine has a molecular weight of 358.45 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]quinazolin-4-amine is sourced from PubChem (CID 95144128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).