N,2,6-trimethyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrimidin-4-amine

C16H22N6 — CID 133281123

IUPACN,2,6-trimethyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrimidin-4-amine
SMILESCc1cc(N(C)C2CCCN(c3cccnn3)C2)nc(C)n1
InChIInChI=1S/C16H22N6/c1-12-10-16(19-13(2)18-12)21(3)14-6-5-9-22(11-14)15-7-4-8-17-20-15/h4,7-8,10,14H,5-6,9,11H2,1-3H3
InChIKeyVQJKJYXUEVDXSG-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.99
Rot. Bonds3

About N,2,6-trimethyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrimidin-4-amine

N,2,6-trimethyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrimidin-4-amine (PubChem CID 133281123) has the molecular formula C16H22N6 and a molecular weight of 298.39 g/mol. Its IUPAC name is N,2,6-trimethyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,2,6-trimethyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrimidin-4-amine
PubChem CID133281123
Molecular FormulaC16H22N6
Molecular Weight298.39 g/mol
Exact Mass298.19
IUPAC NameN,2,6-trimethyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrimidin-4-amine
SMILESCc1cc(N(C)C2CCCN(c3cccnn3)C2)nc(C)n1
InChIInChI=1S/C16H22N6/c1-12-10-16(19-13(2)18-12)21(3)14-6-5-9-22(11-14)15-7-4-8-17-20-15/h4,7-8,10,14H,5-6,9,11H2,1-3H3
InChIKeyVQJKJYXUEVDXSG-UHFFFAOYSA-N
XLogP1.99
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-fluoro-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-2-amine
CID 133281138
6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrazin-2-amine
CID 133281189
N-methyl-6-piperidin-1-yl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrimidin-4-amine
CID 133281145
N-methyl-N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]quinoxalin-2-amine
CID 95599803
7-chloro-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)quinolin-4-amine
CID 133281180
6-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]-3H-pyrido[3,2-d]pyrimidin-4-one
CID 167988818
6-ethyl-N-methyl-2-(4-nitrophenyl)-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrimidin-4-amine
CID 133281141
(3S)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 95342541
N-methyl-5-piperidin-1-ylsulfonyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-2-amine
CID 133281117
N-(1,3-dimethyl-4-nitropyrazol-5-yl)-N-methyl-1-pyridazin-3-ylpiperidin-3-amine
CID 133281109
N,5-dimethyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyridazin-3-amine
CID 138022659
N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133443297

Frequently Asked Questions

What is the IUPAC name of N,2,6-trimethyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrimidin-4-amine?
The IUPAC name of N,2,6-trimethyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrimidin-4-amine (CID 133281123) is N,2,6-trimethyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrimidin-4-amine.
What is the SMILES notation for N,2,6-trimethyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrimidin-4-amine?
The canonical SMILES for N,2,6-trimethyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrimidin-4-amine is Cc1cc(N(C)C2CCCN(c3cccnn3)C2)nc(C)n1.
What is the InChIKey of N,2,6-trimethyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrimidin-4-amine?
The InChIKey is VQJKJYXUEVDXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6/c1-12-10-16(19-13(2)18-12)21(3)14-6-5-9-22(11-14)15-7-4-8-17-20-15/h4,7-8,10,14H,5-6,9,11H2,1-3H3.
What are the key properties of N,2,6-trimethyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrimidin-4-amine?
N,2,6-trimethyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrimidin-4-amine has a molecular weight of 298.39 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,6-trimethyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 133281123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).