6-propoxy-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,5-diamine

C12H16N6O — CID 106894823

IUPAC6-propoxy-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,5-diamine
SMILESCCCOc1ncnc(NCc2cccnn2)c1N
InChIInChI=1S/C12H16N6O/c1-2-6-19-12-10(13)11(15-8-16-12)14-7-9-4-3-5-17-18-9/h3-5,8H,2,6-7,13H2,1H3,(H,14,15,16)
InChIKeyHRHLFYFMHYJGGW-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.25
Rot. Bonds6

About 6-propoxy-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,5-diamine

6-propoxy-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,5-diamine (PubChem CID 106894823) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 6-propoxy-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-propoxy-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,5-diamine
PubChem CID106894823
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name6-propoxy-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,5-diamine
SMILESCCCOc1ncnc(NCc2cccnn2)c1N
InChIInChI=1S/C12H16N6O/c1-2-6-19-12-10(13)11(15-8-16-12)14-7-9-4-3-5-17-18-9/h3-5,8H,2,6-7,13H2,1H3,(H,14,15,16)
InChIKeyHRHLFYFMHYJGGW-UHFFFAOYSA-N
XLogP1.25
TPSA98.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-butyl-5-(pyridazin-3-ylmethoxy)pyrimidine-2,4-diamine
CID 89966411
6-ethoxy-N-ethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 86797677
6-ethoxy-N-[(3-fluoro-2-pyridinyl)methyl]pyrimidin-4-amine
CID 86797824
6-Methoxy-4-(1h-pyrazol-1-yl)-2-(pyridin-2-yl)pyrimidine
CID 169409406
6-ethoxy-N-[1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-yl]pyrimidin-4-amine
CID 99821940
N-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-4-methoxypyrimidin-2-amine
CID 133387438
1-(4-Ethoxypyrimidin-2-yl)-4-[6-(trifluoromethyl)pyridazin-3-yl]-1,4-diazepane
CID 133421206
6-ethoxy-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]pyrimidin-4-amine
CID 133484487
6-ethoxy-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyrimidin-4-amine
CID 133491039
N-(5-fluoro-4-methoxypyrimidin-2-yl)-N'-pyridin-3-ylpropane-1,3-diamine
CID 137338529
(Z)-2-[amino(methyl)amino]-1-[5-(3,3-difluoropiperidin-1-yl)-6-methyl-2-pyridinyl]-3-(6-pyrazol-1-ylpyrimidin-4-yl)oxyprop-1-en-1-amine
CID 162729873
N-(6-methoxypyrimidin-4-yl)-N'-pyridin-3-ylethane-1,2-diamine
CID 50977675

Frequently Asked Questions

What is the IUPAC name of 6-propoxy-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-propoxy-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,5-diamine (CID 106894823) is 6-propoxy-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-propoxy-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-propoxy-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,5-diamine is CCCOc1ncnc(NCc2cccnn2)c1N.
What is the InChIKey of 6-propoxy-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,5-diamine?
The InChIKey is HRHLFYFMHYJGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-2-6-19-12-10(13)11(15-8-16-12)14-7-9-4-3-5-17-18-9/h3-5,8H,2,6-7,13H2,1H3,(H,14,15,16).
What are the key properties of 6-propoxy-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,5-diamine?
6-propoxy-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,5-diamine has a molecular weight of 260.30 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propoxy-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 106894823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).