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

C14H20N6 — CID 106898131

IUPAC6-N,5-dimethyl-2-propan-2-yl-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCNc1nc(C(C)C)nc(NCc2cccnn2)c1C
InChIInChI=1S/C14H20N6/c1-9(2)12-18-13(15-4)10(3)14(19-12)16-8-11-6-5-7-17-20-11/h5-7,9H,8H2,1-4H3,(H2,15,16,18,19)
InChIKeyZDVLDQBAHLTITP-UHFFFAOYSA-N
MW272.36 g/mol
LogP2.35
Rot. Bonds5

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

6-N,5-dimethyl-2-propan-2-yl-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 106898131) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 6-N,5-dimethyl-2-propan-2-yl-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,5-dimethyl-2-propan-2-yl-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,6-diamine
PubChem CID106898131
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name6-N,5-dimethyl-2-propan-2-yl-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCNc1nc(C(C)C)nc(NCc2cccnn2)c1C
InChIInChI=1S/C14H20N6/c1-9(2)12-18-13(15-4)10(3)14(19-12)16-8-11-6-5-7-17-20-11/h5-7,9H,8H2,1-4H3,(H2,15,16,18,19)
InChIKeyZDVLDQBAHLTITP-UHFFFAOYSA-N
XLogP2.35
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-N,5-dimethyl-2-propan-2-yl-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

Frequently Asked Questions

What is the IUPAC name of 6-N,5-dimethyl-2-propan-2-yl-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N,5-dimethyl-2-propan-2-yl-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,6-diamine (CID 106898131) is 6-N,5-dimethyl-2-propan-2-yl-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,5-dimethyl-2-propan-2-yl-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,5-dimethyl-2-propan-2-yl-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,6-diamine is CNc1nc(C(C)C)nc(NCc2cccnn2)c1C.
What is the InChIKey of 6-N,5-dimethyl-2-propan-2-yl-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is ZDVLDQBAHLTITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-9(2)12-18-13(15-4)10(3)14(19-12)16-8-11-6-5-7-17-20-11/h5-7,9H,8H2,1-4H3,(H2,15,16,18,19).
What are the key properties of 6-N,5-dimethyl-2-propan-2-yl-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,6-diamine?
6-N,5-dimethyl-2-propan-2-yl-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 272.36 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,5-dimethyl-2-propan-2-yl-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106898131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).