6-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine

C13H16N4O — CID 50959398

IUPAC6-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
SMILESCOc1cc(N(C)CCc2ccncc2)ncn1
InChIInChI=1S/C13H16N4O/c1-17(8-5-11-3-6-14-7-4-11)12-9-13(18-2)16-10-15-12/h3-4,6-7,9-10H,5,8H2,1-2H3
InChIKeyZMCHQUPVLWKGGW-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.56
Rot. Bonds5

About 6-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine

6-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine (PubChem CID 50959398) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 6-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
PubChem CID50959398
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name6-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
SMILESCOc1cc(N(C)CCc2ccncc2)ncn1
InChIInChI=1S/C13H16N4O/c1-17(8-5-11-3-6-14-7-4-11)12-9-13(18-2)16-10-15-12/h3-4,6-7,9-10H,5,8H2,1-2H3
InChIKeyZMCHQUPVLWKGGW-UHFFFAOYSA-N
XLogP1.56
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,6-Dimethoxy-2-pyrimidinyl)-N-[3-(trifluoromethyl)-2-pyridinyl]urea
CID 137700577
4,6-Dimethoxy-N-[3-(trifluoromethyl)-2-pyridinyl]-2-pyrimidinamine
CID 138755794
4-(4-Methoxy-3-pyridinyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25129883
4-Methoxy-2-[(3-pyridinylmethyl)amino]nicotinonitrile
CID 1487431
N-[(E)-(5-ethyl-2-pyridinyl)methylideneamino]-6-methoxypyrimidin-4-amine
CID 51050005
6-methoxy-N-[(E)-1-pyridin-2-ylethylideneamino]pyrimidin-4-amine
CID 162658779
Mls000737170
CID 259159
US9205085, Msx-200
CID 58757230
1-(4-Cyclopropylpyridin-3-yl)-3-(6-methoxypyrimidin-4-yl)imidazolidin-2-one
CID 70982437
N-(3-methoxypropyl)-N,5,6-trimethyl-2-pyridin-4-ylpyrimidin-4-amine
CID 56789837
6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(4-methoxy-2-pyridyl)-2-phenyl-pyrimidin-4-amine
CID 70681212
6-methoxy-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidin-4-amine
CID 162657292

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine?
The IUPAC name of 6-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine (CID 50959398) is 6-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine is COc1cc(N(C)CCc2ccncc2)ncn1.
What is the InChIKey of 6-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine?
The InChIKey is ZMCHQUPVLWKGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-17(8-5-11-3-6-14-7-4-11)12-9-13(18-2)16-10-15-12/h3-4,6-7,9-10H,5,8H2,1-2H3.
What are the key properties of 6-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine?
6-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine has a molecular weight of 244.30 g/mol, XLogP of 1.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 50959398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).