(7-propan-2-ylpyrimido[4,5-b]quinolin-2-yl)methanamine

C15H16N4 — CID 84634639

IUPAC(7-propan-2-ylpyrimido[4,5-b]quinolin-2-yl)methanamine
SMILESCC(C)c1ccc2nc3nc(CN)ncc3cc2c1
InChIInChI=1S/C15H16N4/c1-9(2)10-3-4-13-11(5-10)6-12-8-17-14(7-16)19-15(12)18-13/h3-6,8-9H,7,16H2,1-2H3
InChIKeyLXXKPBNMBPHODB-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.76
Rot. Bonds2

About (7-propan-2-ylpyrimido[4,5-b]quinolin-2-yl)methanamine

(7-propan-2-ylpyrimido[4,5-b]quinolin-2-yl)methanamine (PubChem CID 84634639) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is (7-propan-2-ylpyrimido[4,5-b]quinolin-2-yl)methanamine.

Molecular Properties

Compound Name(7-propan-2-ylpyrimido[4,5-b]quinolin-2-yl)methanamine
PubChem CID84634639
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name(7-propan-2-ylpyrimido[4,5-b]quinolin-2-yl)methanamine
SMILESCC(C)c1ccc2nc3nc(CN)ncc3cc2c1
InChIInChI=1S/C15H16N4/c1-9(2)10-3-4-13-11(5-10)6-12-8-17-14(7-16)19-15(12)18-13/h3-6,8-9H,7,16H2,1-2H3
InChIKeyLXXKPBNMBPHODB-UHFFFAOYSA-N
XLogP2.76
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

6-propan-2-yl-2-propylquinazoline
CID 91323397
(9-chloropyrimido[4,5-b]quinolin-2-yl)methanamine
CID 84631736
3-(bromomethyl)-6-propan-2-ylquinoline
CID 95733004
6-propan-2-ylquinazoline-2-carboxylic acid
CID 178019149
[4-(4-propan-2-ylphenyl)pyrimidin-2-yl]methanamine
CID 82473712
3-(2-fluoroethoxy)-6-propan-2-ylquinoline
CID 153470285
5-[1-(6-propan-2-ylquinazolin-2-yl)propan-2-yl]-1,3-benzothiazole
CID 134331916
7-propan-2-ylisoquinolin-3-amine
CID 135215168
(6-propan-2-ylquinoxalin-2-yl)methanethiol
CID 142320189
2,8-di(propan-2-yl)phenazine
CID 70800003
6-propan-2-ylquinoline-3-carboxylic acid
CID 82113674
2,9-di(propan-2-yl)pentacene
CID 153380534

Frequently Asked Questions

What is the IUPAC name of (7-propan-2-ylpyrimido[4,5-b]quinolin-2-yl)methanamine?
The IUPAC name of (7-propan-2-ylpyrimido[4,5-b]quinolin-2-yl)methanamine (CID 84634639) is (7-propan-2-ylpyrimido[4,5-b]quinolin-2-yl)methanamine.
What is the SMILES notation for (7-propan-2-ylpyrimido[4,5-b]quinolin-2-yl)methanamine?
The canonical SMILES for (7-propan-2-ylpyrimido[4,5-b]quinolin-2-yl)methanamine is CC(C)c1ccc2nc3nc(CN)ncc3cc2c1.
What is the InChIKey of (7-propan-2-ylpyrimido[4,5-b]quinolin-2-yl)methanamine?
The InChIKey is LXXKPBNMBPHODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-9(2)10-3-4-13-11(5-10)6-12-8-17-14(7-16)19-15(12)18-13/h3-6,8-9H,7,16H2,1-2H3.
What are the key properties of (7-propan-2-ylpyrimido[4,5-b]quinolin-2-yl)methanamine?
(7-propan-2-ylpyrimido[4,5-b]quinolin-2-yl)methanamine has a molecular weight of 252.32 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-propan-2-ylpyrimido[4,5-b]quinolin-2-yl)methanamine is sourced from PubChem (CID 84634639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).