5-[(8-amino-4-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine

C15H16N6 — CID 23323066

IUPAC5-[(8-amino-4-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1ccnc2c(N)cc(Cc3cnc(N)nc3N)cc12
InChIInChI=1S/C15H16N6/c1-8-2-3-19-13-11(8)5-9(6-12(13)16)4-10-7-20-15(18)21-14(10)17/h2-3,5-7H,4,16H2,1H3,(H4,17,18,20,21)
InChIKeyKQQMBGTVDPCLIU-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.67
Rot. Bonds2

About 5-[(8-amino-4-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine

5-[(8-amino-4-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 23323066) has the molecular formula C15H16N6 and a molecular weight of 280.34 g/mol. Its IUPAC name is 5-[(8-amino-4-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(8-amino-4-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine
PubChem CID23323066
Molecular FormulaC15H16N6
Molecular Weight280.34 g/mol
Exact Mass280.14
IUPAC Name5-[(8-amino-4-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1ccnc2c(N)cc(Cc3cnc(N)nc3N)cc12
InChIInChI=1S/C15H16N6/c1-8-2-3-19-13-11(8)5-9(6-12(13)16)4-10-7-20-15(18)21-14(10)17/h2-3,5-7H,4,16H2,1H3,(H4,17,18,20,21)
InChIKeyKQQMBGTVDPCLIU-UHFFFAOYSA-N
XLogP1.67
TPSA116.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(8-amino-4-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(8-amino-4-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine (CID 23323066) is 5-[(8-amino-4-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(8-amino-4-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(8-amino-4-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine is Cc1ccnc2c(N)cc(Cc3cnc(N)nc3N)cc12.
What is the InChIKey of 5-[(8-amino-4-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is KQQMBGTVDPCLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6/c1-8-2-3-19-13-11(8)5-9(6-12(13)16)4-10-7-20-15(18)21-14(10)17/h2-3,5-7H,4,16H2,1H3,(H4,17,18,20,21).
What are the key properties of 5-[(8-amino-4-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine?
5-[(8-amino-4-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 280.34 g/mol, XLogP of 1.67, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(8-amino-4-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 23323066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).