2-N-[4-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine

C19H25N5O — CID 162646131

IUPAC2-N-[4-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
SMILESCNc1cc(C)nc(Nc2ccc(OC)c(C3=CCCN(C)C3)c2)n1
InChIInChI=1S/C19H25N5O/c1-13-10-18(20-2)23-19(21-13)22-15-7-8-17(25-4)16(11-15)14-6-5-9-24(3)12-14/h6-8,10-11H,5,9,12H2,1-4H3,(H2,20,21,22,23)
InChIKeyYRFPHJAMBMALTM-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.30
Rot. Bonds5

About 2-N-[4-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine

2-N-[4-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine (PubChem CID 162646131) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-N-[4-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[4-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
PubChem CID162646131
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name2-N-[4-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
SMILESCNc1cc(C)nc(Nc2ccc(OC)c(C3=CCCN(C)C3)c2)n1
InChIInChI=1S/C19H25N5O/c1-13-10-18(20-2)23-19(21-13)22-15-7-8-17(25-4)16(11-15)14-6-5-9-24(3)12-14/h6-8,10-11H,5,9,12H2,1-4H3,(H2,20,21,22,23)
InChIKeyYRFPHJAMBMALTM-UHFFFAOYSA-N
XLogP3.30
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-[4-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[4-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine (CID 162646131) is 2-N-[4-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[4-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[4-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine is CNc1cc(C)nc(Nc2ccc(OC)c(C3=CCCN(C)C3)c2)n1.
What is the InChIKey of 2-N-[4-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine?
The InChIKey is YRFPHJAMBMALTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-13-10-18(20-2)23-19(21-13)22-15-7-8-17(25-4)16(11-15)14-6-5-9-24(3)12-14/h6-8,10-11H,5,9,12H2,1-4H3,(H2,20,21,22,23).
What are the key properties of 2-N-[4-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine?
2-N-[4-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine has a molecular weight of 339.44 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 162646131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).