5-[[2-(dimethylamino)-4,8-dimethylquinolin-6-yl]methyl]pyrimidine-2,4-diamine

C18H22N6 — CID 14570327

IUPAC5-[[2-(dimethylamino)-4,8-dimethylquinolin-6-yl]methyl]pyrimidine-2,4-diamine
SMILESCc1cc(N(C)C)nc2c(C)cc(Cc3cnc(N)nc3N)cc12
InChIInChI=1S/C18H22N6/c1-10-6-15(24(3)4)22-16-11(2)5-12(8-14(10)16)7-13-9-21-18(20)23-17(13)19/h5-6,8-9H,7H2,1-4H3,(H4,19,20,21,23)
InChIKeyBADIQHYQUJTUCI-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.46
Rot. Bonds3

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

5-[[2-(dimethylamino)-4,8-dimethylquinolin-6-yl]methyl]pyrimidine-2,4-diamine (PubChem CID 14570327) has the molecular formula C18H22N6 and a molecular weight of 322.42 g/mol. Its IUPAC name is 5-[[2-(dimethylamino)-4,8-dimethylquinolin-6-yl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[[2-(dimethylamino)-4,8-dimethylquinolin-6-yl]methyl]pyrimidine-2,4-diamine
PubChem CID14570327
Molecular FormulaC18H22N6
Molecular Weight322.42 g/mol
Exact Mass322.19
IUPAC Name5-[[2-(dimethylamino)-4,8-dimethylquinolin-6-yl]methyl]pyrimidine-2,4-diamine
SMILESCc1cc(N(C)C)nc2c(C)cc(Cc3cnc(N)nc3N)cc12
InChIInChI=1S/C18H22N6/c1-10-6-15(24(3)4)22-16-11(2)5-12(8-14(10)16)7-13-9-21-18(20)23-17(13)19/h5-6,8-9H,7H2,1-4H3,(H4,19,20,21,23)
InChIKeyBADIQHYQUJTUCI-UHFFFAOYSA-N
XLogP2.46
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(dimethylamino)-4,8-dimethylquinolin-6-yl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[[2-(dimethylamino)-4,8-dimethylquinolin-6-yl]methyl]pyrimidine-2,4-diamine (CID 14570327) is 5-[[2-(dimethylamino)-4,8-dimethylquinolin-6-yl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[[2-(dimethylamino)-4,8-dimethylquinolin-6-yl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[[2-(dimethylamino)-4,8-dimethylquinolin-6-yl]methyl]pyrimidine-2,4-diamine is Cc1cc(N(C)C)nc2c(C)cc(Cc3cnc(N)nc3N)cc12.
What is the InChIKey of 5-[[2-(dimethylamino)-4,8-dimethylquinolin-6-yl]methyl]pyrimidine-2,4-diamine?
The InChIKey is BADIQHYQUJTUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6/c1-10-6-15(24(3)4)22-16-11(2)5-12(8-14(10)16)7-13-9-21-18(20)23-17(13)19/h5-6,8-9H,7H2,1-4H3,(H4,19,20,21,23).
What are the key properties of 5-[[2-(dimethylamino)-4,8-dimethylquinolin-6-yl]methyl]pyrimidine-2,4-diamine?
5-[[2-(dimethylamino)-4,8-dimethylquinolin-6-yl]methyl]pyrimidine-2,4-diamine has a molecular weight of 322.42 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(dimethylamino)-4,8-dimethylquinolin-6-yl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 14570327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).