2,5,6-trimethyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]pyrimidin-4-amine

C16H22N6 — CID 167981169

IUPAC2,5,6-trimethyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]pyrimidin-4-amine
SMILESCc1nc(C)c(C)c(NCC2CCCN2c2cccnn2)n1
InChIInChI=1S/C16H22N6/c1-11-12(2)19-13(3)20-16(11)17-10-14-6-5-9-22(14)15-7-4-8-18-21-15/h4,7-8,14H,5-6,9-10H2,1-3H3,(H,17,19,20)
InChIKeyBQAHRIJZQFEQNJ-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.27
Rot. Bonds4

About 2,5,6-trimethyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]pyrimidin-4-amine

2,5,6-trimethyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]pyrimidin-4-amine (PubChem CID 167981169) has the molecular formula C16H22N6 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2,5,6-trimethyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2,5,6-trimethyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]pyrimidin-4-amine
PubChem CID167981169
Molecular FormulaC16H22N6
Molecular Weight298.39 g/mol
Exact Mass298.19
IUPAC Name2,5,6-trimethyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]pyrimidin-4-amine
SMILESCc1nc(C)c(C)c(NCC2CCCN2c2cccnn2)n1
InChIInChI=1S/C16H22N6/c1-11-12(2)19-13(3)20-16(11)17-10-14-6-5-9-22(14)15-7-4-8-18-21-15/h4,7-8,14H,5-6,9-10H2,1-3H3,(H,17,19,20)
InChIKeyBQAHRIJZQFEQNJ-UHFFFAOYSA-N
XLogP2.27
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5,6-trimethyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 2,5,6-trimethyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]pyrimidin-4-amine (CID 167981169) is 2,5,6-trimethyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2,5,6-trimethyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2,5,6-trimethyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]pyrimidin-4-amine is Cc1nc(C)c(C)c(NCC2CCCN2c2cccnn2)n1.
What is the InChIKey of 2,5,6-trimethyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is BQAHRIJZQFEQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6/c1-11-12(2)19-13(3)20-16(11)17-10-14-6-5-9-22(14)15-7-4-8-18-21-15/h4,7-8,14H,5-6,9-10H2,1-3H3,(H,17,19,20).
What are the key properties of 2,5,6-trimethyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]pyrimidin-4-amine?
2,5,6-trimethyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 298.39 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trimethyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 167981169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).