4-N-(1-pyrrolidin-1-ylpropan-2-yl)quinazoline-4,6-diamine

C15H21N5 — CID 64588497

IUPAC4-N-(1-pyrrolidin-1-ylpropan-2-yl)quinazoline-4,6-diamine
SMILESCC(CN1CCCC1)Nc1ncnc2ccc(N)cc12
InChIInChI=1S/C15H21N5/c1-11(9-20-6-2-3-7-20)19-15-13-8-12(16)4-5-14(13)17-10-18-15/h4-5,8,10-11H,2-3,6-7,9,16H2,1H3,(H,17,18,19)
InChIKeyJRLPSOYWARGRND-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.11
Rot. Bonds4

About 4-N-(1-pyrrolidin-1-ylpropan-2-yl)quinazoline-4,6-diamine

4-N-(1-pyrrolidin-1-ylpropan-2-yl)quinazoline-4,6-diamine (PubChem CID 64588497) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 4-N-(1-pyrrolidin-1-ylpropan-2-yl)quinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-(1-pyrrolidin-1-ylpropan-2-yl)quinazoline-4,6-diamine
PubChem CID64588497
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name4-N-(1-pyrrolidin-1-ylpropan-2-yl)quinazoline-4,6-diamine
SMILESCC(CN1CCCC1)Nc1ncnc2ccc(N)cc12
InChIInChI=1S/C15H21N5/c1-11(9-20-6-2-3-7-20)19-15-13-8-12(16)4-5-14(13)17-10-18-15/h4-5,8,10-11H,2-3,6-7,9,16H2,1H3,(H,17,18,19)
InChIKeyJRLPSOYWARGRND-UHFFFAOYSA-N
XLogP2.11
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-(4-methylpentan-2-yl)quinazoline-4,6-diamine
CID 64588281
4-methyl-3-N-(1-pyrrolidin-1-ylpropan-2-yl)benzene-1,3-diamine
CID 62590164
4-N-(1-piperidin-1-ylpropan-2-yl)quinoline-4,7-diamine
CID 103000719
6-chloro-4-N-(1-piperidin-1-ylpropan-2-yl)pyrimidine-4,5-diamine
CID 63022906
4-N-(1-thiophen-3-ylpropan-2-yl)quinazoline-4,6-diamine
CID 64588895
4-N-[1-(dimethylamino)-3-methylbutan-2-yl]quinazoline-4,6-diamine
CID 64589298
2-fluoro-1-N-(1-pyrrolidin-1-ylpropan-2-yl)benzene-1,4-diamine
CID 54952869
4-N-(1-imidazol-1-ylpropan-2-yl)quinazoline-4,7-diamine
CID 65337116
ethane;4-N-methylquinazoline-4,6-diamine
CID 91218753
6-hydrazinyl-5-propyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-amine
CID 80897473
4-N-[2-(4-methylpiperidin-1-yl)ethyl]quinazoline-4,6-diamine
CID 64588487
N-(1-pyrrolidin-1-ylpropan-2-yl)furo[3,2-c]pyridin-4-amine
CID 103702723

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-pyrrolidin-1-ylpropan-2-yl)quinazoline-4,6-diamine?
The IUPAC name of 4-N-(1-pyrrolidin-1-ylpropan-2-yl)quinazoline-4,6-diamine (CID 64588497) is 4-N-(1-pyrrolidin-1-ylpropan-2-yl)quinazoline-4,6-diamine.
What is the SMILES notation for 4-N-(1-pyrrolidin-1-ylpropan-2-yl)quinazoline-4,6-diamine?
The canonical SMILES for 4-N-(1-pyrrolidin-1-ylpropan-2-yl)quinazoline-4,6-diamine is CC(CN1CCCC1)Nc1ncnc2ccc(N)cc12.
What is the InChIKey of 4-N-(1-pyrrolidin-1-ylpropan-2-yl)quinazoline-4,6-diamine?
The InChIKey is JRLPSOYWARGRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-11(9-20-6-2-3-7-20)19-15-13-8-12(16)4-5-14(13)17-10-18-15/h4-5,8,10-11H,2-3,6-7,9,16H2,1H3,(H,17,18,19).
What are the key properties of 4-N-(1-pyrrolidin-1-ylpropan-2-yl)quinazoline-4,6-diamine?
4-N-(1-pyrrolidin-1-ylpropan-2-yl)quinazoline-4,6-diamine has a molecular weight of 271.37 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-pyrrolidin-1-ylpropan-2-yl)quinazoline-4,6-diamine is sourced from PubChem (CID 64588497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).