2-(2-aminoethyl)-N-[(5-ethyl-2-pyridinyl)methyl]quinazolin-4-amine

C18H21N5 — CID 50981823

IUPAC2-(2-aminoethyl)-N-[(5-ethyl-2-pyridinyl)methyl]quinazolin-4-amine
SMILESCCc1ccc(CNc2nc(CCN)nc3ccccc23)nc1
InChIInChI=1S/C18H21N5/c1-2-13-7-8-14(20-11-13)12-21-18-15-5-3-4-6-16(15)22-17(23-18)9-10-19/h3-8,11H,2,9-10,12,19H2,1H3,(H,21,22,23)
InChIKeyYYXHFYGQEXJNKY-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.70
Rot. Bonds6

About 2-(2-aminoethyl)-N-[(5-ethyl-2-pyridinyl)methyl]quinazolin-4-amine

2-(2-aminoethyl)-N-[(5-ethyl-2-pyridinyl)methyl]quinazolin-4-amine (PubChem CID 50981823) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[(5-ethyl-2-pyridinyl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[(5-ethyl-2-pyridinyl)methyl]quinazolin-4-amine
PubChem CID50981823
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name2-(2-aminoethyl)-N-[(5-ethyl-2-pyridinyl)methyl]quinazolin-4-amine
SMILESCCc1ccc(CNc2nc(CCN)nc3ccccc23)nc1
InChIInChI=1S/C18H21N5/c1-2-13-7-8-14(20-11-13)12-21-18-15-5-3-4-6-16(15)22-17(23-18)9-10-19/h3-8,11H,2,9-10,12,19H2,1H3,(H,21,22,23)
InChIKeyYYXHFYGQEXJNKY-UHFFFAOYSA-N
XLogP2.70
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(dimethylamino)methyl]-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 21003940
2-(2-aminoethyl)-N-[3-(2-ethylimidazol-1-yl)propyl]quinazolin-4-amine
CID 50976321
2-(5-ethyl-2-pyridinyl)ethanamine;hydrochloride
CID 76847658
2-(2-aminoethyl)-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]quinazolin-4-amine
CID 50964550
2-(2-aminoethyl)-N-[2-(2-chlorophenyl)ethyl]quinazolin-4-amine
CID 50967665
2-(2-aminoethyl)-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]quinazolin-4-amine
CID 95120809
N'-[2-(2-aminoethyl)quinazolin-4-yl]-N,N-diethyl-1-(furan-2-yl)ethane-1,2-diamine;dihydrochloride
CID 154887337
2-propyl-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine
CID 69312797
N'-[(5-ethyl-2-pyridinyl)methyl]propane-1,3-diamine
CID 79739974
2-(2-aminoethyl)-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]quinazolin-4-amine
CID 50971267
2-methyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine chloride
CID 53346777
N'-[2-[(dimethylamino)methyl]quinazolin-4-yl]propane-1,3-diamine
CID 143396865

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[(5-ethyl-2-pyridinyl)methyl]quinazolin-4-amine?
The IUPAC name of 2-(2-aminoethyl)-N-[(5-ethyl-2-pyridinyl)methyl]quinazolin-4-amine (CID 50981823) is 2-(2-aminoethyl)-N-[(5-ethyl-2-pyridinyl)methyl]quinazolin-4-amine.
What is the SMILES notation for 2-(2-aminoethyl)-N-[(5-ethyl-2-pyridinyl)methyl]quinazolin-4-amine?
The canonical SMILES for 2-(2-aminoethyl)-N-[(5-ethyl-2-pyridinyl)methyl]quinazolin-4-amine is CCc1ccc(CNc2nc(CCN)nc3ccccc23)nc1.
What is the InChIKey of 2-(2-aminoethyl)-N-[(5-ethyl-2-pyridinyl)methyl]quinazolin-4-amine?
The InChIKey is YYXHFYGQEXJNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-2-13-7-8-14(20-11-13)12-21-18-15-5-3-4-6-16(15)22-17(23-18)9-10-19/h3-8,11H,2,9-10,12,19H2,1H3,(H,21,22,23).
What are the key properties of 2-(2-aminoethyl)-N-[(5-ethyl-2-pyridinyl)methyl]quinazolin-4-amine?
2-(2-aminoethyl)-N-[(5-ethyl-2-pyridinyl)methyl]quinazolin-4-amine has a molecular weight of 307.40 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[(5-ethyl-2-pyridinyl)methyl]quinazolin-4-amine is sourced from PubChem (CID 50981823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).