6-N-ethyl-5-propan-2-yl-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,6-diamine

C14H20N6 — CID 106898193

IUPAC6-N-ethyl-5-propan-2-yl-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCCNc1ncnc(NCc2cccnn2)c1C(C)C
InChIInChI=1S/C14H20N6/c1-4-15-13-12(10(2)3)14(18-9-17-13)16-8-11-6-5-7-19-20-11/h5-7,9-10H,4,8H2,1-3H3,(H2,15,16,17,18)
InChIKeyYQAQMLQDCYBKRN-UHFFFAOYSA-N
MW272.36 g/mol
LogP2.43
Rot. Bonds6

About 6-N-ethyl-5-propan-2-yl-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,6-diamine

6-N-ethyl-5-propan-2-yl-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 106898193) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 6-N-ethyl-5-propan-2-yl-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-5-propan-2-yl-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,6-diamine
PubChem CID106898193
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name6-N-ethyl-5-propan-2-yl-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCCNc1ncnc(NCc2cccnn2)c1C(C)C
InChIInChI=1S/C14H20N6/c1-4-15-13-12(10(2)3)14(18-9-17-13)16-8-11-6-5-7-19-20-11/h5-7,9-10H,4,8H2,1-3H3,(H2,15,16,17,18)
InChIKeyYQAQMLQDCYBKRN-UHFFFAOYSA-N
XLogP2.43
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-N-ethyl-5-propan-2-yl-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,6-diamine with MolForge

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Related Compounds

5-ethyl-6-N-propyl-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,6-diamine
CID 106898212
6-N-ethyl-4-N-[(5-methylpyrazin-2-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 80805111
6-N-ethyl-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 106304510
N-(pyridazin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 106832629
6-N-ethyl-4-N-(2-phenylethyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80772452
6-chloro-5-methoxy-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine
CID 106897364
6-propoxy-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,5-diamine
CID 106894823
1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-2-ol
CID 80779051
6-N,5-dimethyl-2-propan-2-yl-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,6-diamine
CID 106898131
4-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80770662
3-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-1-ol
CID 80771693
4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80769699

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-5-propan-2-yl-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-5-propan-2-yl-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,6-diamine (CID 106898193) is 6-N-ethyl-5-propan-2-yl-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-5-propan-2-yl-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-5-propan-2-yl-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,6-diamine is CCNc1ncnc(NCc2cccnn2)c1C(C)C.
What is the InChIKey of 6-N-ethyl-5-propan-2-yl-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is YQAQMLQDCYBKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-4-15-13-12(10(2)3)14(18-9-17-13)16-8-11-6-5-7-19-20-11/h5-7,9-10H,4,8H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 6-N-ethyl-5-propan-2-yl-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,6-diamine?
6-N-ethyl-5-propan-2-yl-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 272.36 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-5-propan-2-yl-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106898193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).