5-[(8-methoxy-2-methyl-7-prop-2-enylquinolin-5-yl)methyl]pyrimidine-2,4-diamine

C19H21N5O — CID 12849779

IUPAC5-[(8-methoxy-2-methyl-7-prop-2-enylquinolin-5-yl)methyl]pyrimidine-2,4-diamine
SMILESC=CCc1cc(Cc2cnc(N)nc2N)c2ccc(C)nc2c1OC
InChIInChI=1S/C19H21N5O/c1-4-5-12-8-13(9-14-10-22-19(21)24-18(14)20)15-7-6-11(2)23-16(15)17(12)25-3/h4,6-8,10H,1,5,9H2,2-3H3,(H4,20,21,22,24)
InChIKeyRIIZTGNMGDDHQS-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.83
Rot. Bonds5

About 5-[(8-methoxy-2-methyl-7-prop-2-enylquinolin-5-yl)methyl]pyrimidine-2,4-diamine

5-[(8-methoxy-2-methyl-7-prop-2-enylquinolin-5-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 12849779) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 5-[(8-methoxy-2-methyl-7-prop-2-enylquinolin-5-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(8-methoxy-2-methyl-7-prop-2-enylquinolin-5-yl)methyl]pyrimidine-2,4-diamine
PubChem CID12849779
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name5-[(8-methoxy-2-methyl-7-prop-2-enylquinolin-5-yl)methyl]pyrimidine-2,4-diamine
SMILESC=CCc1cc(Cc2cnc(N)nc2N)c2ccc(C)nc2c1OC
InChIInChI=1S/C19H21N5O/c1-4-5-12-8-13(9-14-10-22-19(21)24-18(14)20)15-7-6-11(2)23-16(15)17(12)25-3/h4,6-8,10H,1,5,9H2,2-3H3,(H4,20,21,22,24)
InChIKeyRIIZTGNMGDDHQS-UHFFFAOYSA-N
XLogP2.83
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(8-methoxy-2-methyl-7-prop-2-enylquinolin-5-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(8-methoxy-2-methyl-7-prop-2-enylquinolin-5-yl)methyl]pyrimidine-2,4-diamine (CID 12849779) is 5-[(8-methoxy-2-methyl-7-prop-2-enylquinolin-5-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(8-methoxy-2-methyl-7-prop-2-enylquinolin-5-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(8-methoxy-2-methyl-7-prop-2-enylquinolin-5-yl)methyl]pyrimidine-2,4-diamine is C=CCc1cc(Cc2cnc(N)nc2N)c2ccc(C)nc2c1OC.
What is the InChIKey of 5-[(8-methoxy-2-methyl-7-prop-2-enylquinolin-5-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is RIIZTGNMGDDHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-4-5-12-8-13(9-14-10-22-19(21)24-18(14)20)15-7-6-11(2)23-16(15)17(12)25-3/h4,6-8,10H,1,5,9H2,2-3H3,(H4,20,21,22,24).
What are the key properties of 5-[(8-methoxy-2-methyl-7-prop-2-enylquinolin-5-yl)methyl]pyrimidine-2,4-diamine?
5-[(8-methoxy-2-methyl-7-prop-2-enylquinolin-5-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 335.41 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(8-methoxy-2-methyl-7-prop-2-enylquinolin-5-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 12849779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).