2-[[(3-methylpyrrolidin-3-yl)amino]methyl]quinazolin-4-amine

C14H19N5 — CID 107424502

IUPAC2-[[(3-methylpyrrolidin-3-yl)amino]methyl]quinazolin-4-amine
SMILESCC1(NCc2nc(N)c3ccccc3n2)CCNC1
InChIInChI=1S/C14H19N5/c1-14(6-7-16-9-14)17-8-12-18-11-5-3-2-4-10(11)13(15)19-12/h2-5,16-17H,6-9H2,1H3,(H2,15,18,19)
InChIKeyUPPODVAYVCDZIA-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.05
Rot. Bonds3

About 2-[[(3-methylpyrrolidin-3-yl)amino]methyl]quinazolin-4-amine

2-[[(3-methylpyrrolidin-3-yl)amino]methyl]quinazolin-4-amine (PubChem CID 107424502) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[[(3-methylpyrrolidin-3-yl)amino]methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-[[(3-methylpyrrolidin-3-yl)amino]methyl]quinazolin-4-amine
PubChem CID107424502
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name2-[[(3-methylpyrrolidin-3-yl)amino]methyl]quinazolin-4-amine
SMILESCC1(NCc2nc(N)c3ccccc3n2)CCNC1
InChIInChI=1S/C14H19N5/c1-14(6-7-16-9-14)17-8-12-18-11-5-3-2-4-10(11)13(15)19-12/h2-5,16-17H,6-9H2,1H3,(H2,15,18,19)
InChIKeyUPPODVAYVCDZIA-UHFFFAOYSA-N
XLogP1.05
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3-methylpyrrolidin-3-yl)amino]methyl]quinazolin-4-amine?
The IUPAC name of 2-[[(3-methylpyrrolidin-3-yl)amino]methyl]quinazolin-4-amine (CID 107424502) is 2-[[(3-methylpyrrolidin-3-yl)amino]methyl]quinazolin-4-amine.
What is the SMILES notation for 2-[[(3-methylpyrrolidin-3-yl)amino]methyl]quinazolin-4-amine?
The canonical SMILES for 2-[[(3-methylpyrrolidin-3-yl)amino]methyl]quinazolin-4-amine is CC1(NCc2nc(N)c3ccccc3n2)CCNC1.
What is the InChIKey of 2-[[(3-methylpyrrolidin-3-yl)amino]methyl]quinazolin-4-amine?
The InChIKey is UPPODVAYVCDZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-14(6-7-16-9-14)17-8-12-18-11-5-3-2-4-10(11)13(15)19-12/h2-5,16-17H,6-9H2,1H3,(H2,15,18,19).
What are the key properties of 2-[[(3-methylpyrrolidin-3-yl)amino]methyl]quinazolin-4-amine?
2-[[(3-methylpyrrolidin-3-yl)amino]methyl]quinazolin-4-amine has a molecular weight of 257.34 g/mol, XLogP of 1.05, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-methylpyrrolidin-3-yl)amino]methyl]quinazolin-4-amine is sourced from PubChem (CID 107424502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).