5-pyrrolidin-1-ylquinazoline-2,4-diamine

C12H15N5 — CID 22386585

IUPAC5-pyrrolidin-1-ylquinazoline-2,4-diamine
SMILESNc1nc(N)c2c(N3CCCC3)cccc2n1
InChIInChI=1S/C12H15N5/c13-11-10-8(15-12(14)16-11)4-3-5-9(10)17-6-1-2-7-17/h3-5H,1-2,6-7H2,(H4,13,14,15,16)
InChIKeyVQJRZFLQDSIQOU-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.39
Rot. Bonds1

About 5-pyrrolidin-1-ylquinazoline-2,4-diamine

5-pyrrolidin-1-ylquinazoline-2,4-diamine (PubChem CID 22386585) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 5-pyrrolidin-1-ylquinazoline-2,4-diamine.

Molecular Properties

Compound Name5-pyrrolidin-1-ylquinazoline-2,4-diamine
PubChem CID22386585
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name5-pyrrolidin-1-ylquinazoline-2,4-diamine
SMILESNc1nc(N)c2c(N3CCCC3)cccc2n1
InChIInChI=1S/C12H15N5/c13-11-10-8(15-12(14)16-11)4-3-5-9(10)17-6-1-2-7-17/h3-5H,1-2,6-7H2,(H4,13,14,15,16)
InChIKeyVQJRZFLQDSIQOU-UHFFFAOYSA-N
XLogP1.39
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-1-ylquinazoline-2,4-diamine?
The IUPAC name of 5-pyrrolidin-1-ylquinazoline-2,4-diamine (CID 22386585) is 5-pyrrolidin-1-ylquinazoline-2,4-diamine.
What is the SMILES notation for 5-pyrrolidin-1-ylquinazoline-2,4-diamine?
The canonical SMILES for 5-pyrrolidin-1-ylquinazoline-2,4-diamine is Nc1nc(N)c2c(N3CCCC3)cccc2n1.
What is the InChIKey of 5-pyrrolidin-1-ylquinazoline-2,4-diamine?
The InChIKey is VQJRZFLQDSIQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c13-11-10-8(15-12(14)16-11)4-3-5-9(10)17-6-1-2-7-17/h3-5H,1-2,6-7H2,(H4,13,14,15,16).
What are the key properties of 5-pyrrolidin-1-ylquinazoline-2,4-diamine?
5-pyrrolidin-1-ylquinazoline-2,4-diamine has a molecular weight of 229.29 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-1-ylquinazoline-2,4-diamine is sourced from PubChem (CID 22386585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).