4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5,6-dihydrobenzo[h]quinazolin-2-amine

C17H21N5 — CID 25071938

IUPAC4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5,6-dihydrobenzo[h]quinazolin-2-amine
SMILESCN[C@@H]1CCN(c2nc(N)nc3c2CCc2ccccc2-3)C1
InChIInChI=1S/C17H21N5/c1-19-12-8-9-22(10-12)16-14-7-6-11-4-2-3-5-13(11)15(14)20-17(18)21-16/h2-5,12,19H,6-10H2,1H3,(H2,18,20,21)/t12-/m1/s1
InChIKeyUUMMKCYGIBYCRT-GFCCVEGCSA-N
MW295.39 g/mol
LogP1.62
Rot. Bonds2

About 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5,6-dihydrobenzo[h]quinazolin-2-amine

4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5,6-dihydrobenzo[h]quinazolin-2-amine (PubChem CID 25071938) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5,6-dihydrobenzo[h]quinazolin-2-amine.

Molecular Properties

Compound Name4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5,6-dihydrobenzo[h]quinazolin-2-amine
PubChem CID25071938
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC Name4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5,6-dihydrobenzo[h]quinazolin-2-amine
SMILESCN[C@@H]1CCN(c2nc(N)nc3c2CCc2ccccc2-3)C1
InChIInChI=1S/C17H21N5/c1-19-12-8-9-22(10-12)16-14-7-6-11-4-2-3-5-13(11)15(14)20-17(18)21-16/h2-5,12,19H,6-10H2,1H3,(H2,18,20,21)/t12-/m1/s1
InChIKeyUUMMKCYGIBYCRT-GFCCVEGCSA-N
XLogP1.62
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5,6-dihydrobenzo[h]quinazolin-2-amine?
The IUPAC name of 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5,6-dihydrobenzo[h]quinazolin-2-amine (CID 25071938) is 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5,6-dihydrobenzo[h]quinazolin-2-amine.
What is the SMILES notation for 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5,6-dihydrobenzo[h]quinazolin-2-amine?
The canonical SMILES for 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5,6-dihydrobenzo[h]quinazolin-2-amine is CN[C@@H]1CCN(c2nc(N)nc3c2CCc2ccccc2-3)C1.
What is the InChIKey of 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5,6-dihydrobenzo[h]quinazolin-2-amine?
The InChIKey is UUMMKCYGIBYCRT-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H21N5/c1-19-12-8-9-22(10-12)16-14-7-6-11-4-2-3-5-13(11)15(14)20-17(18)21-16/h2-5,12,19H,6-10H2,1H3,(H2,18,20,21)/t12-/m1/s1.
What are the key properties of 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5,6-dihydrobenzo[h]quinazolin-2-amine?
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5,6-dihydrobenzo[h]quinazolin-2-amine has a molecular weight of 295.39 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5,6-dihydrobenzo[h]quinazolin-2-amine is sourced from PubChem (CID 25071938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).