5-[(4-methyl-2-morpholin-4-ylquinolin-7-yl)methyl]pyrimidine-2,4-diamine

C19H22N6O — CID 14570320

IUPAC5-[(4-methyl-2-morpholin-4-ylquinolin-7-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1cc(N2CCOCC2)nc2cc(Cc3cnc(N)nc3N)ccc12
InChIInChI=1S/C19H22N6O/c1-12-8-17(25-4-6-26-7-5-25)23-16-10-13(2-3-15(12)16)9-14-11-22-19(21)24-18(14)20/h2-3,8,10-11H,4-7,9H2,1H3,(H4,20,21,22,24)
InChIKeyWQNAKTXBBGBITL-UHFFFAOYSA-N
MW350.43 g/mol
LogP1.93
Rot. Bonds3

About 5-[(4-methyl-2-morpholin-4-ylquinolin-7-yl)methyl]pyrimidine-2,4-diamine

5-[(4-methyl-2-morpholin-4-ylquinolin-7-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 14570320) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 5-[(4-methyl-2-morpholin-4-ylquinolin-7-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(4-methyl-2-morpholin-4-ylquinolin-7-yl)methyl]pyrimidine-2,4-diamine
PubChem CID14570320
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name5-[(4-methyl-2-morpholin-4-ylquinolin-7-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1cc(N2CCOCC2)nc2cc(Cc3cnc(N)nc3N)ccc12
InChIInChI=1S/C19H22N6O/c1-12-8-17(25-4-6-26-7-5-25)23-16-10-13(2-3-15(12)16)9-14-11-22-19(21)24-18(14)20/h2-3,8,10-11H,4-7,9H2,1H3,(H4,20,21,22,24)
InChIKeyWQNAKTXBBGBITL-UHFFFAOYSA-N
XLogP1.93
TPSA103.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methyl-2-morpholin-4-ylquinolin-7-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(4-methyl-2-morpholin-4-ylquinolin-7-yl)methyl]pyrimidine-2,4-diamine (CID 14570320) is 5-[(4-methyl-2-morpholin-4-ylquinolin-7-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(4-methyl-2-morpholin-4-ylquinolin-7-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(4-methyl-2-morpholin-4-ylquinolin-7-yl)methyl]pyrimidine-2,4-diamine is Cc1cc(N2CCOCC2)nc2cc(Cc3cnc(N)nc3N)ccc12.
What is the InChIKey of 5-[(4-methyl-2-morpholin-4-ylquinolin-7-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is WQNAKTXBBGBITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-12-8-17(25-4-6-26-7-5-25)23-16-10-13(2-3-15(12)16)9-14-11-22-19(21)24-18(14)20/h2-3,8,10-11H,4-7,9H2,1H3,(H4,20,21,22,24).
What are the key properties of 5-[(4-methyl-2-morpholin-4-ylquinolin-7-yl)methyl]pyrimidine-2,4-diamine?
5-[(4-methyl-2-morpholin-4-ylquinolin-7-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 350.43 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methyl-2-morpholin-4-ylquinolin-7-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 14570320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).