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

C15H16N6 — CID 23323070

IUPAC5-[(5-amino-4-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1ccnc2ccc(Cc3cnc(N)nc3N)c(N)c12
InChIInChI=1S/C15H16N6/c1-8-4-5-19-11-3-2-9(13(16)12(8)11)6-10-7-20-15(18)21-14(10)17/h2-5,7H,6,16H2,1H3,(H4,17,18,20,21)
InChIKeyAEVPVLVQOALREA-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.67
Rot. Bonds2

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

5-[(5-amino-4-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 23323070) has the molecular formula C15H16N6 and a molecular weight of 280.34 g/mol. Its IUPAC name is 5-[(5-amino-4-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(5-amino-4-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine
PubChem CID23323070
Molecular FormulaC15H16N6
Molecular Weight280.34 g/mol
Exact Mass280.14
IUPAC Name5-[(5-amino-4-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1ccnc2ccc(Cc3cnc(N)nc3N)c(N)c12
InChIInChI=1S/C15H16N6/c1-8-4-5-19-11-3-2-9(13(16)12(8)11)6-10-7-20-15(18)21-14(10)17/h2-5,7H,6,16H2,1H3,(H4,17,18,20,21)
InChIKeyAEVPVLVQOALREA-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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Related Compounds

Dapivirine
CID 214347
Rilpivirine
CID 6451164
Quinazoline
CID 9210
1,7-Phenanthroline
CID 67473
4-Aminoquinazoline
CID 84759
Ngd-8243
CID 11247522
Pazelliptine
CID 68853
A804598
CID 53325874
N-Benzylquinazolin-4-amine
CID 616573
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555
Senexin A
CID 56927063
Quinazolin-2-amine
CID 519332

Frequently Asked Questions

What is the IUPAC name of 5-[(5-amino-4-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(5-amino-4-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine (CID 23323070) is 5-[(5-amino-4-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(5-amino-4-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(5-amino-4-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine is Cc1ccnc2ccc(Cc3cnc(N)nc3N)c(N)c12.
What is the InChIKey of 5-[(5-amino-4-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is AEVPVLVQOALREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6/c1-8-4-5-19-11-3-2-9(13(16)12(8)11)6-10-7-20-15(18)21-14(10)17/h2-5,7H,6,16H2,1H3,(H4,17,18,20,21).
What are the key properties of 5-[(5-amino-4-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine?
5-[(5-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-[(5-amino-4-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 23323070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).