2-(2-aminoethyl)-N-[1-(4-methyl-2-pyridinyl)propyl]quinazolin-4-amine

C19H23N5 — CID 50958621

IUPAC2-(2-aminoethyl)-N-[1-(4-methyl-2-pyridinyl)propyl]quinazolin-4-amine
SMILESCCC(Nc1nc(CCN)nc2ccccc12)c1cc(C)ccn1
InChIInChI=1S/C19H23N5/c1-3-15(17-12-13(2)9-11-21-17)23-19-14-6-4-5-7-16(14)22-18(24-19)8-10-20/h4-7,9,11-12,15H,3,8,10,20H2,1-2H3,(H,22,23,24)
InChIKeyFJJHYHYQKWGPLR-UHFFFAOYSA-N
MW321.43 g/mol
LogP3.40
Rot. Bonds6

About 2-(2-aminoethyl)-N-[1-(4-methyl-2-pyridinyl)propyl]quinazolin-4-amine

2-(2-aminoethyl)-N-[1-(4-methyl-2-pyridinyl)propyl]quinazolin-4-amine (PubChem CID 50958621) has the molecular formula C19H23N5 and a molecular weight of 321.43 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[1-(4-methyl-2-pyridinyl)propyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[1-(4-methyl-2-pyridinyl)propyl]quinazolin-4-amine
PubChem CID50958621
Molecular FormulaC19H23N5
Molecular Weight321.43 g/mol
Exact Mass321.20
IUPAC Name2-(2-aminoethyl)-N-[1-(4-methyl-2-pyridinyl)propyl]quinazolin-4-amine
SMILESCCC(Nc1nc(CCN)nc2ccccc12)c1cc(C)ccn1
InChIInChI=1S/C19H23N5/c1-3-15(17-12-13(2)9-11-21-17)23-19-14-6-4-5-7-16(14)22-18(24-19)8-10-20/h4-7,9,11-12,15H,3,8,10,20H2,1-2H3,(H,22,23,24)
InChIKeyFJJHYHYQKWGPLR-UHFFFAOYSA-N
XLogP3.40
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[1-(4-methyl-2-pyridinyl)propyl]quinazolin-4-amine?
The IUPAC name of 2-(2-aminoethyl)-N-[1-(4-methyl-2-pyridinyl)propyl]quinazolin-4-amine (CID 50958621) is 2-(2-aminoethyl)-N-[1-(4-methyl-2-pyridinyl)propyl]quinazolin-4-amine.
What is the SMILES notation for 2-(2-aminoethyl)-N-[1-(4-methyl-2-pyridinyl)propyl]quinazolin-4-amine?
The canonical SMILES for 2-(2-aminoethyl)-N-[1-(4-methyl-2-pyridinyl)propyl]quinazolin-4-amine is CCC(Nc1nc(CCN)nc2ccccc12)c1cc(C)ccn1.
What is the InChIKey of 2-(2-aminoethyl)-N-[1-(4-methyl-2-pyridinyl)propyl]quinazolin-4-amine?
The InChIKey is FJJHYHYQKWGPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5/c1-3-15(17-12-13(2)9-11-21-17)23-19-14-6-4-5-7-16(14)22-18(24-19)8-10-20/h4-7,9,11-12,15H,3,8,10,20H2,1-2H3,(H,22,23,24).
What are the key properties of 2-(2-aminoethyl)-N-[1-(4-methyl-2-pyridinyl)propyl]quinazolin-4-amine?
2-(2-aminoethyl)-N-[1-(4-methyl-2-pyridinyl)propyl]quinazolin-4-amine has a molecular weight of 321.43 g/mol, XLogP of 3.40, 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-[1-(4-methyl-2-pyridinyl)propyl]quinazolin-4-amine is sourced from PubChem (CID 50958621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).