N-(2-methoxyethyl)-5-(2-methoxyphenyl)pyrimidin-4-amine

C14H17N3O2 — CID 3233283

IUPACN-(2-methoxyethyl)-5-(2-methoxyphenyl)pyrimidin-4-amine
SMILESCOCCNc1ncncc1-c1ccccc1OC
InChIInChI=1S/C14H17N3O2/c1-18-8-7-16-14-12(9-15-10-17-14)11-5-3-4-6-13(11)19-2/h3-6,9-10H,7-8H2,1-2H3,(H,15,16,17)
InChIKeySTHWPFCLTFRJAA-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.21
Rot. Bonds6

About N-(2-methoxyethyl)-5-(2-methoxyphenyl)pyrimidin-4-amine

N-(2-methoxyethyl)-5-(2-methoxyphenyl)pyrimidin-4-amine (PubChem CID 3233283) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-(2-methoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-(2-methoxyphenyl)pyrimidin-4-amine
PubChem CID3233283
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-(2-methoxyethyl)-5-(2-methoxyphenyl)pyrimidin-4-amine
SMILESCOCCNc1ncncc1-c1ccccc1OC
InChIInChI=1S/C14H17N3O2/c1-18-8-7-16-14-12(9-15-10-17-14)11-5-3-4-6-13(11)19-2/h3-6,9-10H,7-8H2,1-2H3,(H,15,16,17)
InChIKeySTHWPFCLTFRJAA-UHFFFAOYSA-N
XLogP2.21
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
CID 91624198
6-N-(2-methoxyethyl)-4-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 19148143
N-(2-methoxyethyl)-6-(2-methoxyphenoxy)-5-nitropyrimidin-4-amine
CID 22534878
N-(2-methoxyethyl)-3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine
CID 126471713
N-(2-chloroethyl)-5-methoxypyrimidin-4-amine
CID 130543427
5-(2,3-dimethoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 116812467
6-N-(2-methoxyethyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542825
N-(2-methoxyethyl)pteridin-4-amine
CID 35197462
3-N-(2-methoxyethyl)quinoxaline-2,3-diamine
CID 102983552
4-N-(2-methoxyethyl)-2-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112885690
5-bromo-4-N-[2-(2-methoxyphenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine
CID 106262696
N-(2-methoxyethyl)-2-[2-(2-methoxyethylamino)phenoxy]aniline
CID 11120659

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-(2-methoxyphenyl)pyrimidin-4-amine?
The IUPAC name of N-(2-methoxyethyl)-5-(2-methoxyphenyl)pyrimidin-4-amine (CID 3233283) is N-(2-methoxyethyl)-5-(2-methoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for N-(2-methoxyethyl)-5-(2-methoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for N-(2-methoxyethyl)-5-(2-methoxyphenyl)pyrimidin-4-amine is COCCNc1ncncc1-c1ccccc1OC.
What is the InChIKey of N-(2-methoxyethyl)-5-(2-methoxyphenyl)pyrimidin-4-amine?
The InChIKey is STHWPFCLTFRJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-18-8-7-16-14-12(9-15-10-17-14)11-5-3-4-6-13(11)19-2/h3-6,9-10H,7-8H2,1-2H3,(H,15,16,17).
What are the key properties of N-(2-methoxyethyl)-5-(2-methoxyphenyl)pyrimidin-4-amine?
N-(2-methoxyethyl)-5-(2-methoxyphenyl)pyrimidin-4-amine has a molecular weight of 259.31 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-(2-methoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 3233283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).