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

C15H21N5O — CID 82456039

IUPAC6-ethoxy-2-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,5-diamine
SMILESCCCc1nc(NCc2ccccn2)c(N)c(OCC)n1
InChIInChI=1S/C15H21N5O/c1-3-7-12-19-14(13(16)15(20-12)21-4-2)18-10-11-8-5-6-9-17-11/h5-6,8-9H,3-4,7,10,16H2,1-2H3,(H,18,19,20)
InChIKeyZWFRDVQWYYOVOJ-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.42
Rot. Bonds7

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

6-ethoxy-2-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,5-diamine (PubChem CID 82456039) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 6-ethoxy-2-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-ethoxy-2-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,5-diamine
PubChem CID82456039
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name6-ethoxy-2-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,5-diamine
SMILESCCCc1nc(NCc2ccccn2)c(N)c(OCC)n1
InChIInChI=1S/C15H21N5O/c1-3-7-12-19-14(13(16)15(20-12)21-4-2)18-10-11-8-5-6-9-17-11/h5-6,8-9H,3-4,7,10,16H2,1-2H3,(H,18,19,20)
InChIKeyZWFRDVQWYYOVOJ-UHFFFAOYSA-N
XLogP2.42
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethoxy-4-N-[(4-methylphenyl)methyl]-2-propylpyrimidine-4,5-diamine
CID 82456062
6-hydrazinyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80946582
4-N-[2-(diethylamino)ethyl]-6-ethoxy-2-propylpyrimidine-4,5-diamine
CID 82456040
6-ethoxy-4-N-(3-ethoxypropyl)-2-propylpyrimidine-4,5-diamine
CID 82456045
1-methyl-3-propyl-5-N-(pyridin-2-ylmethyl)pyrazole-4,5-diamine
CID 66019219
4-ethoxy-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 112636546
6-methyl-2-N-(pyridin-2-ylmethyl)pyridine-2,3-diamine
CID 81132178
4-ethoxy-6-hydrazinyl-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine
CID 80943283
1-methyl-3-N-(pyridin-2-ylmethyl)pyrazole-3,4-diamine
CID 103077877
4-methoxy-N-(pyridin-2-ylmethyl)-1,2,5-thiadiazol-3-amine
CID 57037696
1-propyl-N-(pyridin-2-ylmethyl)imidazo[1,5-a]pyrazin-8-amine
CID 53201996
2-ethyl-6-propoxy-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 82454039

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-ethoxy-2-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,5-diamine (CID 82456039) is 6-ethoxy-2-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-ethoxy-2-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-ethoxy-2-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,5-diamine is CCCc1nc(NCc2ccccn2)c(N)c(OCC)n1.
What is the InChIKey of 6-ethoxy-2-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,5-diamine?
The InChIKey is ZWFRDVQWYYOVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-3-7-12-19-14(13(16)15(20-12)21-4-2)18-10-11-8-5-6-9-17-11/h5-6,8-9H,3-4,7,10,16H2,1-2H3,(H,18,19,20).
What are the key properties of 6-ethoxy-2-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,5-diamine?
6-ethoxy-2-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,5-diamine has a molecular weight of 287.37 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 82456039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).