4-N-[(1-methylpyrrolidin-3-yl)methyl]quinazoline-2,4-diamine

C14H19N5 — CID 80789448

IUPAC4-N-[(1-methylpyrrolidin-3-yl)methyl]quinazoline-2,4-diamine
SMILESCN1CCC(CNc2nc(N)nc3ccccc23)C1
InChIInChI=1S/C14H19N5/c1-19-7-6-10(9-19)8-16-13-11-4-2-3-5-12(11)17-14(15)18-13/h2-5,10H,6-9H2,1H3,(H3,15,16,17,18)
InChIKeyIAILFRQEZIGRNB-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.58
Rot. Bonds3

About 4-N-[(1-methylpyrrolidin-3-yl)methyl]quinazoline-2,4-diamine

4-N-[(1-methylpyrrolidin-3-yl)methyl]quinazoline-2,4-diamine (PubChem CID 80789448) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-N-[(1-methylpyrrolidin-3-yl)methyl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-[(1-methylpyrrolidin-3-yl)methyl]quinazoline-2,4-diamine
PubChem CID80789448
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name4-N-[(1-methylpyrrolidin-3-yl)methyl]quinazoline-2,4-diamine
SMILESCN1CCC(CNc2nc(N)nc3ccccc23)C1
InChIInChI=1S/C14H19N5/c1-19-7-6-10(9-19)8-16-13-11-4-2-3-5-12(11)17-14(15)18-13/h2-5,10H,6-9H2,1H3,(H3,15,16,17,18)
InChIKeyIAILFRQEZIGRNB-UHFFFAOYSA-N
XLogP1.58
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(1-methylpyrrolidin-3-yl)methyl]quinazoline-2,4-diamine?
The IUPAC name of 4-N-[(1-methylpyrrolidin-3-yl)methyl]quinazoline-2,4-diamine (CID 80789448) is 4-N-[(1-methylpyrrolidin-3-yl)methyl]quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-[(1-methylpyrrolidin-3-yl)methyl]quinazoline-2,4-diamine?
The canonical SMILES for 4-N-[(1-methylpyrrolidin-3-yl)methyl]quinazoline-2,4-diamine is CN1CCC(CNc2nc(N)nc3ccccc23)C1.
What is the InChIKey of 4-N-[(1-methylpyrrolidin-3-yl)methyl]quinazoline-2,4-diamine?
The InChIKey is IAILFRQEZIGRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-19-7-6-10(9-19)8-16-13-11-4-2-3-5-12(11)17-14(15)18-13/h2-5,10H,6-9H2,1H3,(H3,15,16,17,18).
What are the key properties of 4-N-[(1-methylpyrrolidin-3-yl)methyl]quinazoline-2,4-diamine?
4-N-[(1-methylpyrrolidin-3-yl)methyl]quinazoline-2,4-diamine has a molecular weight of 257.34 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1-methylpyrrolidin-3-yl)methyl]quinazoline-2,4-diamine is sourced from PubChem (CID 80789448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).