5-[(8-methoxy-1,2,3,4-tetrahydroquinolin-6-yl)methyl]pyrimidine-2,4-diamine

C15H19N5O — CID 23323056

IUPAC5-[(8-methoxy-1,2,3,4-tetrahydroquinolin-6-yl)methyl]pyrimidine-2,4-diamine
SMILESCOc1cc(Cc2cnc(N)nc2N)cc2c1NCCC2
InChIInChI=1S/C15H19N5O/c1-21-12-7-9(5-10-3-2-4-18-13(10)12)6-11-8-19-15(17)20-14(11)16/h5,7-8,18H,2-4,6H2,1H3,(H4,16,17,19,20)
InChIKeyKUPCVEUDIMEMHK-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.60
Rot. Bonds3

About 5-[(8-methoxy-1,2,3,4-tetrahydroquinolin-6-yl)methyl]pyrimidine-2,4-diamine

5-[(8-methoxy-1,2,3,4-tetrahydroquinolin-6-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 23323056) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-[(8-methoxy-1,2,3,4-tetrahydroquinolin-6-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(8-methoxy-1,2,3,4-tetrahydroquinolin-6-yl)methyl]pyrimidine-2,4-diamine
PubChem CID23323056
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name5-[(8-methoxy-1,2,3,4-tetrahydroquinolin-6-yl)methyl]pyrimidine-2,4-diamine
SMILESCOc1cc(Cc2cnc(N)nc2N)cc2c1NCCC2
InChIInChI=1S/C15H19N5O/c1-21-12-7-9(5-10-3-2-4-18-13(10)12)6-11-8-19-15(17)20-14(11)16/h5,7-8,18H,2-4,6H2,1H3,(H4,16,17,19,20)
InChIKeyKUPCVEUDIMEMHK-UHFFFAOYSA-N
XLogP1.60
TPSA99.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(8-methoxy-1,2,3,4-tetrahydroquinolin-6-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(8-methoxy-1,2,3,4-tetrahydroquinolin-6-yl)methyl]pyrimidine-2,4-diamine (CID 23323056) is 5-[(8-methoxy-1,2,3,4-tetrahydroquinolin-6-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(8-methoxy-1,2,3,4-tetrahydroquinolin-6-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(8-methoxy-1,2,3,4-tetrahydroquinolin-6-yl)methyl]pyrimidine-2,4-diamine is COc1cc(Cc2cnc(N)nc2N)cc2c1NCCC2.
What is the InChIKey of 5-[(8-methoxy-1,2,3,4-tetrahydroquinolin-6-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is KUPCVEUDIMEMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-21-12-7-9(5-10-3-2-4-18-13(10)12)6-11-8-19-15(17)20-14(11)16/h5,7-8,18H,2-4,6H2,1H3,(H4,16,17,19,20).
What are the key properties of 5-[(8-methoxy-1,2,3,4-tetrahydroquinolin-6-yl)methyl]pyrimidine-2,4-diamine?
5-[(8-methoxy-1,2,3,4-tetrahydroquinolin-6-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 285.35 g/mol, XLogP of 1.60, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(8-methoxy-1,2,3,4-tetrahydroquinolin-6-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 23323056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).