N-methyl-6-piperidin-1-yl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrimidin-4-amine

C19H27N7 — CID 133281145

IUPACN-methyl-6-piperidin-1-yl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrimidin-4-amine
SMILESCN(c1cc(N2CCCCC2)ncn1)C1CCCN(c2cccnn2)C1
InChIInChI=1S/C19H27N7/c1-24(16-7-6-12-26(14-16)17-8-5-9-22-23-17)18-13-19(21-15-20-18)25-10-3-2-4-11-25/h5,8-9,13,15-16H,2-4,6-7,10-12,14H2,1H3
InChIKeyVLFJLNCTOFLYJE-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.36
Rot. Bonds4

About N-methyl-6-piperidin-1-yl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrimidin-4-amine

N-methyl-6-piperidin-1-yl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrimidin-4-amine (PubChem CID 133281145) has the molecular formula C19H27N7 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-methyl-6-piperidin-1-yl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-piperidin-1-yl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrimidin-4-amine
PubChem CID133281145
Molecular FormulaC19H27N7
Molecular Weight353.47 g/mol
Exact Mass353.23
IUPAC NameN-methyl-6-piperidin-1-yl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrimidin-4-amine
SMILESCN(c1cc(N2CCCCC2)ncn1)C1CCCN(c2cccnn2)C1
InChIInChI=1S/C19H27N7/c1-24(16-7-6-12-26(14-16)17-8-5-9-22-23-17)18-13-19(21-15-20-18)25-10-3-2-4-11-25/h5,8-9,13,15-16H,2-4,6-7,10-12,14H2,1H3
InChIKeyVLFJLNCTOFLYJE-UHFFFAOYSA-N
XLogP2.36
TPSA61.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N,2,6-trimethyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrimidin-4-amine
CID 133281123
6-fluoro-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-2-amine
CID 133281138
N-methyl-N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]quinoxalin-2-amine
CID 95599803
N-methyl-5-piperidin-1-ylsulfonyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-2-amine
CID 133281117
7-chloro-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)quinolin-4-amine
CID 133281180
N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-N-methyl-6-morpholin-4-ylpyrimidin-4-amine
CID 171540166
6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrazin-2-amine
CID 133281189
6-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]-3H-pyrido[3,2-d]pyrimidin-4-one
CID 167988818
N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133443297
5-chloro-6-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]pyridine-3-carboxamide
CID 133281186
6-tert-butylsulfonyl-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-3-amine
CID 133379059
6-ethyl-N-methyl-2-(4-nitrophenyl)-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrimidin-4-amine
CID 133281141

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-piperidin-1-yl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrimidin-4-amine?
The IUPAC name of N-methyl-6-piperidin-1-yl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrimidin-4-amine (CID 133281145) is N-methyl-6-piperidin-1-yl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-piperidin-1-yl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrimidin-4-amine?
The canonical SMILES for N-methyl-6-piperidin-1-yl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrimidin-4-amine is CN(c1cc(N2CCCCC2)ncn1)C1CCCN(c2cccnn2)C1.
What is the InChIKey of N-methyl-6-piperidin-1-yl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrimidin-4-amine?
The InChIKey is VLFJLNCTOFLYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7/c1-24(16-7-6-12-26(14-16)17-8-5-9-22-23-17)18-13-19(21-15-20-18)25-10-3-2-4-11-25/h5,8-9,13,15-16H,2-4,6-7,10-12,14H2,1H3.
What are the key properties of N-methyl-6-piperidin-1-yl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrimidin-4-amine?
N-methyl-6-piperidin-1-yl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrimidin-4-amine has a molecular weight of 353.47 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-piperidin-1-yl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 133281145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).