6-[2-[ethyl(pyrrolidin-2-yl)amino]-4-pyridinyl]quinazolin-4-amine

C19H22N6 — CID 90016836

IUPAC6-[2-[ethyl(pyrrolidin-2-yl)amino]-4-pyridinyl]quinazolin-4-amine
SMILESCCN(c1cc(-c2ccc3ncnc(N)c3c2)ccn1)C1CCCN1
InChIInChI=1S/C19H22N6/c1-2-25(17-4-3-8-21-17)18-11-14(7-9-22-18)13-5-6-16-15(10-13)19(20)24-12-23-16/h5-7,9-12,17,21H,2-4,8H2,1H3,(H2,20,23,24)
InChIKeyWENHZFHGXQKPJY-UHFFFAOYSA-N
MW334.43 g/mol
LogP2.81
Rot. Bonds4

About 6-[2-[ethyl(pyrrolidin-2-yl)amino]-4-pyridinyl]quinazolin-4-amine

6-[2-[ethyl(pyrrolidin-2-yl)amino]-4-pyridinyl]quinazolin-4-amine (PubChem CID 90016836) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is 6-[2-[ethyl(pyrrolidin-2-yl)amino]-4-pyridinyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-[2-[ethyl(pyrrolidin-2-yl)amino]-4-pyridinyl]quinazolin-4-amine
PubChem CID90016836
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC Name6-[2-[ethyl(pyrrolidin-2-yl)amino]-4-pyridinyl]quinazolin-4-amine
SMILESCCN(c1cc(-c2ccc3ncnc(N)c3c2)ccn1)C1CCCN1
InChIInChI=1S/C19H22N6/c1-2-25(17-4-3-8-21-17)18-11-14(7-9-22-18)13-5-6-16-15(10-13)19(20)24-12-23-16/h5-7,9-12,17,21H,2-4,8H2,1H3,(H2,20,23,24)
InChIKeyWENHZFHGXQKPJY-UHFFFAOYSA-N
XLogP2.81
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[ethyl(pyrrolidin-2-yl)amino]-4-pyridinyl]quinazolin-4-amine?
The IUPAC name of 6-[2-[ethyl(pyrrolidin-2-yl)amino]-4-pyridinyl]quinazolin-4-amine (CID 90016836) is 6-[2-[ethyl(pyrrolidin-2-yl)amino]-4-pyridinyl]quinazolin-4-amine.
What is the SMILES notation for 6-[2-[ethyl(pyrrolidin-2-yl)amino]-4-pyridinyl]quinazolin-4-amine?
The canonical SMILES for 6-[2-[ethyl(pyrrolidin-2-yl)amino]-4-pyridinyl]quinazolin-4-amine is CCN(c1cc(-c2ccc3ncnc(N)c3c2)ccn1)C1CCCN1.
What is the InChIKey of 6-[2-[ethyl(pyrrolidin-2-yl)amino]-4-pyridinyl]quinazolin-4-amine?
The InChIKey is WENHZFHGXQKPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6/c1-2-25(17-4-3-8-21-17)18-11-14(7-9-22-18)13-5-6-16-15(10-13)19(20)24-12-23-16/h5-7,9-12,17,21H,2-4,8H2,1H3,(H2,20,23,24).
What are the key properties of 6-[2-[ethyl(pyrrolidin-2-yl)amino]-4-pyridinyl]quinazolin-4-amine?
6-[2-[ethyl(pyrrolidin-2-yl)amino]-4-pyridinyl]quinazolin-4-amine has a molecular weight of 334.43 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[ethyl(pyrrolidin-2-yl)amino]-4-pyridinyl]quinazolin-4-amine is sourced from PubChem (CID 90016836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).