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

C16H21N5O — CID 23323038

IUPAC5-[(8-methoxy-4-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]pyrimidine-2,4-diamine
SMILESCOc1cc(Cc2cnc(N)nc2N)cc2c1NCCC2C
InChIInChI=1S/C16H21N5O/c1-9-3-4-19-14-12(9)6-10(7-13(14)22-2)5-11-8-20-16(18)21-15(11)17/h6-9,19H,3-5H2,1-2H3,(H4,17,18,20,21)
InChIKeyAXNZFCMTBSSQSI-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.16
Rot. Bonds3

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

5-[(8-methoxy-4-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 23323038) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 5-[(8-methoxy-4-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(8-methoxy-4-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]pyrimidine-2,4-diamine
PubChem CID23323038
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name5-[(8-methoxy-4-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]pyrimidine-2,4-diamine
SMILESCOc1cc(Cc2cnc(N)nc2N)cc2c1NCCC2C
InChIInChI=1S/C16H21N5O/c1-9-3-4-19-14-12(9)6-10(7-13(14)22-2)5-11-8-20-16(18)21-15(11)17/h6-9,19H,3-5H2,1-2H3,(H4,17,18,20,21)
InChIKeyAXNZFCMTBSSQSI-UHFFFAOYSA-N
XLogP2.16
TPSA99.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(8-methoxy-4-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(8-methoxy-4-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]pyrimidine-2,4-diamine (CID 23323038) is 5-[(8-methoxy-4-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(8-methoxy-4-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(8-methoxy-4-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]pyrimidine-2,4-diamine is COc1cc(Cc2cnc(N)nc2N)cc2c1NCCC2C.
What is the InChIKey of 5-[(8-methoxy-4-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is AXNZFCMTBSSQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-9-3-4-19-14-12(9)6-10(7-13(14)22-2)5-11-8-20-16(18)21-15(11)17/h6-9,19H,3-5H2,1-2H3,(H4,17,18,20,21).
What are the key properties of 5-[(8-methoxy-4-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]pyrimidine-2,4-diamine?
5-[(8-methoxy-4-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 299.38 g/mol, XLogP of 2.16, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(8-methoxy-4-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 23323038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).