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

C14H20N6 — CID 106898212

IUPAC5-ethyl-6-N-propyl-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NCc2cccnn2)c1CC
InChIInChI=1S/C14H20N6/c1-3-7-15-13-12(4-2)14(18-10-17-13)16-9-11-6-5-8-19-20-11/h5-6,8,10H,3-4,7,9H2,1-2H3,(H2,15,16,17,18)
InChIKeyBBJOJKVDZRBHPB-UHFFFAOYSA-N
MW272.36 g/mol
LogP2.26
Rot. Bonds7

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

5-ethyl-6-N-propyl-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 106898212) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 5-ethyl-6-N-propyl-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-ethyl-6-N-propyl-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,6-diamine
PubChem CID106898212
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name5-ethyl-6-N-propyl-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NCc2cccnn2)c1CC
InChIInChI=1S/C14H20N6/c1-3-7-15-13-12(4-2)14(18-10-17-13)16-9-11-6-5-8-19-20-11/h5-6,8,10H,3-4,7,9H2,1-2H3,(H2,15,16,17,18)
InChIKeyBBJOJKVDZRBHPB-UHFFFAOYSA-N
XLogP2.26
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dichloro-2-N-propyl-6-N-(pyridazin-3-ylmethyl)pyridine-2,6-diamine
CID 106898227
6-N-ethyl-5-propan-2-yl-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,6-diamine
CID 106898193
6-propoxy-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,5-diamine
CID 106894823
5-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80772654
4-N-[(4-chlorophenyl)methyl]-5-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80750556
5-ethyl-4-N-[(5-methylthiophen-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80818447
6-chloro-5-methoxy-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine
CID 106897364
5-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80822689
4-N-(2,2-dimethylpropyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80797563
N-(pyridazin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 106832629
5-ethyl-4-N-(2-methylbutan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80768376
5-ethyl-4-N-(2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 80755419

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-N-propyl-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 5-ethyl-6-N-propyl-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,6-diamine (CID 106898212) is 5-ethyl-6-N-propyl-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-ethyl-6-N-propyl-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-ethyl-6-N-propyl-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,6-diamine is CCCNc1ncnc(NCc2cccnn2)c1CC.
What is the InChIKey of 5-ethyl-6-N-propyl-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is BBJOJKVDZRBHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-3-7-15-13-12(4-2)14(18-10-17-13)16-9-11-6-5-8-19-20-11/h5-6,8,10H,3-4,7,9H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 5-ethyl-6-N-propyl-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,6-diamine?
5-ethyl-6-N-propyl-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 272.36 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-N-propyl-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106898212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).