2-(2-aminoethyl)-N-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]quinazolin-4-amine

C19H29N5 — CID 95131269

IUPAC2-(2-aminoethyl)-N-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]quinazolin-4-amine
SMILESCCN1CC[C@H](CN(CC)c2nc(CCN)nc3ccccc23)C1
InChIInChI=1S/C19H29N5/c1-3-23-12-10-15(13-23)14-24(4-2)19-16-7-5-6-8-17(16)21-18(22-19)9-11-20/h5-8,15H,3-4,9-14,20H2,1-2H3/t15-/m0/s1
InChIKeyKZTQBOGBQFAWPM-HNNXBMFYSA-N
MW327.48 g/mol
LogP2.30
Rot. Bonds7

About 2-(2-aminoethyl)-N-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]quinazolin-4-amine

2-(2-aminoethyl)-N-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]quinazolin-4-amine (PubChem CID 95131269) has the molecular formula C19H29N5 and a molecular weight of 327.48 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]quinazolin-4-amine
PubChem CID95131269
Molecular FormulaC19H29N5
Molecular Weight327.48 g/mol
Exact Mass327.24
IUPAC Name2-(2-aminoethyl)-N-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]quinazolin-4-amine
SMILESCCN1CC[C@H](CN(CC)c2nc(CCN)nc3ccccc23)C1
InChIInChI=1S/C19H29N5/c1-3-23-12-10-15(13-23)14-24(4-2)19-16-7-5-6-8-17(16)21-18(22-19)9-11-20/h5-8,15H,3-4,9-14,20H2,1-2H3/t15-/m0/s1
InChIKeyKZTQBOGBQFAWPM-HNNXBMFYSA-N
XLogP2.30
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]quinazolin-4-amine?
The IUPAC name of 2-(2-aminoethyl)-N-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]quinazolin-4-amine (CID 95131269) is 2-(2-aminoethyl)-N-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]quinazolin-4-amine.
What is the SMILES notation for 2-(2-aminoethyl)-N-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]quinazolin-4-amine?
The canonical SMILES for 2-(2-aminoethyl)-N-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]quinazolin-4-amine is CCN1CC[C@H](CN(CC)c2nc(CCN)nc3ccccc23)C1.
What is the InChIKey of 2-(2-aminoethyl)-N-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]quinazolin-4-amine?
The InChIKey is KZTQBOGBQFAWPM-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H29N5/c1-3-23-12-10-15(13-23)14-24(4-2)19-16-7-5-6-8-17(16)21-18(22-19)9-11-20/h5-8,15H,3-4,9-14,20H2,1-2H3/t15-/m0/s1.
What are the key properties of 2-(2-aminoethyl)-N-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]quinazolin-4-amine?
2-(2-aminoethyl)-N-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]quinazolin-4-amine has a molecular weight of 327.48 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]quinazolin-4-amine is sourced from PubChem (CID 95131269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).