6-ethoxy-2-(2-methylpropyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,5-diamine

C16H23N5O — CID 82458261

IUPAC6-ethoxy-2-(2-methylpropyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,5-diamine
SMILESCCOc1nc(CC(C)C)nc(NCc2ccncc2)c1N
InChIInChI=1S/C16H23N5O/c1-4-22-16-14(17)15(20-13(21-16)9-11(2)3)19-10-12-5-7-18-8-6-12/h5-8,11H,4,9-10,17H2,1-3H3,(H,19,20,21)
InChIKeyRDJAURZPOANWCK-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.66
Rot. Bonds7

About 6-ethoxy-2-(2-methylpropyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,5-diamine

6-ethoxy-2-(2-methylpropyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,5-diamine (PubChem CID 82458261) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 6-ethoxy-2-(2-methylpropyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-ethoxy-2-(2-methylpropyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,5-diamine
PubChem CID82458261
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name6-ethoxy-2-(2-methylpropyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,5-diamine
SMILESCCOc1nc(CC(C)C)nc(NCc2ccncc2)c1N
InChIInChI=1S/C16H23N5O/c1-4-22-16-14(17)15(20-13(21-16)9-11(2)3)19-10-12-5-7-18-8-6-12/h5-8,11H,4,9-10,17H2,1-3H3,(H,19,20,21)
InChIKeyRDJAURZPOANWCK-UHFFFAOYSA-N
XLogP2.66
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[2-(dimethylamino)ethyl]-6-ethoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458254
6-ethoxy-4-N-[(4-methylphenyl)methyl]-2-propylpyrimidine-4,5-diamine
CID 82456062
4-N-[3-(dimethylamino)propyl]-6-ethoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458253
4-N-ethyl-6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458307
6-butoxy-4-N,2-bis(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458302
6-chloro-4-N-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82459523
6-chloro-2-(methoxymethyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,5-diamine
CID 82459444
6-ethoxy-2-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,5-diamine
CID 82456039
6-butoxy-4-N-[2-(dimethylamino)ethyl]-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458298
4-N-benzyl-2-cyclopropyl-6-ethoxypyrimidine-4,5-diamine
CID 82456251
2-methyl-4-N-[(4-methylphenyl)methyl]-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455532
6-(2-methoxyethoxy)-4-N-(3-methylbutyl)-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458334

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-(2-methylpropyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-ethoxy-2-(2-methylpropyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,5-diamine (CID 82458261) is 6-ethoxy-2-(2-methylpropyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-ethoxy-2-(2-methylpropyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-ethoxy-2-(2-methylpropyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,5-diamine is CCOc1nc(CC(C)C)nc(NCc2ccncc2)c1N.
What is the InChIKey of 6-ethoxy-2-(2-methylpropyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,5-diamine?
The InChIKey is RDJAURZPOANWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-4-22-16-14(17)15(20-13(21-16)9-11(2)3)19-10-12-5-7-18-8-6-12/h5-8,11H,4,9-10,17H2,1-3H3,(H,19,20,21).
What are the key properties of 6-ethoxy-2-(2-methylpropyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,5-diamine?
6-ethoxy-2-(2-methylpropyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,5-diamine has a molecular weight of 301.39 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-(2-methylpropyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 82458261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).