5-[(8-methoxy-7-propylquinolin-5-yl)methyl]pyrimidine-2,4-diamine

C18H21N5O — CID 12849783

IUPAC5-[(8-methoxy-7-propylquinolin-5-yl)methyl]pyrimidine-2,4-diamine
SMILESCCCc1cc(Cc2cnc(N)nc2N)c2cccnc2c1OC
InChIInChI=1S/C18H21N5O/c1-3-5-11-8-12(9-13-10-22-18(20)23-17(13)19)14-6-4-7-21-15(14)16(11)24-2/h4,6-8,10H,3,5,9H2,1-2H3,(H4,19,20,22,23)
InChIKeyNFEVMZZGTJFTLX-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.74
Rot. Bonds5

About 5-[(8-methoxy-7-propylquinolin-5-yl)methyl]pyrimidine-2,4-diamine

5-[(8-methoxy-7-propylquinolin-5-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 12849783) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 5-[(8-methoxy-7-propylquinolin-5-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(8-methoxy-7-propylquinolin-5-yl)methyl]pyrimidine-2,4-diamine
PubChem CID12849783
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name5-[(8-methoxy-7-propylquinolin-5-yl)methyl]pyrimidine-2,4-diamine
SMILESCCCc1cc(Cc2cnc(N)nc2N)c2cccnc2c1OC
InChIInChI=1S/C18H21N5O/c1-3-5-11-8-12(9-13-10-22-18(20)23-17(13)19)14-6-4-7-21-15(14)16(11)24-2/h4,6-8,10H,3,5,9H2,1-2H3,(H4,19,20,22,23)
InChIKeyNFEVMZZGTJFTLX-UHFFFAOYSA-N
XLogP2.74
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(8-methoxy-7-propylquinolin-5-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(8-methoxy-7-propylquinolin-5-yl)methyl]pyrimidine-2,4-diamine (CID 12849783) is 5-[(8-methoxy-7-propylquinolin-5-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(8-methoxy-7-propylquinolin-5-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(8-methoxy-7-propylquinolin-5-yl)methyl]pyrimidine-2,4-diamine is CCCc1cc(Cc2cnc(N)nc2N)c2cccnc2c1OC.
What is the InChIKey of 5-[(8-methoxy-7-propylquinolin-5-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is NFEVMZZGTJFTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-3-5-11-8-12(9-13-10-22-18(20)23-17(13)19)14-6-4-7-21-15(14)16(11)24-2/h4,6-8,10H,3,5,9H2,1-2H3,(H4,19,20,22,23).
What are the key properties of 5-[(8-methoxy-7-propylquinolin-5-yl)methyl]pyrimidine-2,4-diamine?
5-[(8-methoxy-7-propylquinolin-5-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 323.40 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(8-methoxy-7-propylquinolin-5-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 12849783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).