4,6-dimethoxy-N-methyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine

C13H16N4O2 — CID 171691462

IUPAC4,6-dimethoxy-N-methyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
SMILESCOc1cc(OC)nc(N(C)Cc2ccncc2)n1
InChIInChI=1S/C13H16N4O2/c1-17(9-10-4-6-14-7-5-10)13-15-11(18-2)8-12(16-13)19-3/h4-8H,9H2,1-3H3
InChIKeyWTXIZRONMWKLRQ-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.53
Rot. Bonds5

About 4,6-dimethoxy-N-methyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine

4,6-dimethoxy-N-methyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine (PubChem CID 171691462) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 4,6-dimethoxy-N-methyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethoxy-N-methyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
PubChem CID171691462
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name4,6-dimethoxy-N-methyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
SMILESCOc1cc(OC)nc(N(C)Cc2ccncc2)n1
InChIInChI=1S/C13H16N4O2/c1-17(9-10-4-6-14-7-5-10)13-15-11(18-2)8-12(16-13)19-3/h4-8H,9H2,1-3H3
InChIKeyWTXIZRONMWKLRQ-UHFFFAOYSA-N
XLogP1.53
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-2-amine
CID 165433420
2-N,6-dimethyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 166178436
N'-(4,6-dimethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine
CID 115355307
methyl 2-[(4,6-dimethoxypyrimidin-2-yl)-methylamino]acetate
CID 115355509
6-chloro-2-N,2-N-diethyl-4-N-methyl-4-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 62864913
5-methoxy-3-N-methyl-3-N-(pyridin-4-ylmethyl)benzene-1,3-diamine
CID 80730531
2-[(4,6-dimethoxypyrimidin-2-yl)-methylamino]acetic acid
CID 115354683
4-hydrazinyl-N-methyl-6-propoxy-N-(pyridin-4-ylmethyl)-1,3,5-triazin-2-amine
CID 80898353
4-methoxy-N,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine
CID 138042899
3-[(4,6-dimethoxypyrimidin-2-yl)-methylamino]propanenitrile
CID 115354838
5-(bromomethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 107080360
[2-[methyl(pyridin-4-ylmethyl)amino]pyrimidin-5-yl]methanol
CID 113387821

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-N-methyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 4,6-dimethoxy-N-methyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine (CID 171691462) is 4,6-dimethoxy-N-methyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethoxy-N-methyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethoxy-N-methyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine is COc1cc(OC)nc(N(C)Cc2ccncc2)n1.
What is the InChIKey of 4,6-dimethoxy-N-methyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine?
The InChIKey is WTXIZRONMWKLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-17(9-10-4-6-14-7-5-10)13-15-11(18-2)8-12(16-13)19-3/h4-8H,9H2,1-3H3.
What are the key properties of 4,6-dimethoxy-N-methyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine?
4,6-dimethoxy-N-methyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine has a molecular weight of 260.30 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-N-methyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 171691462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).