N-[1-(6-tert-butylpyridazin-3-yl)piperidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine

C22H33N7O — CID 175650502

IUPACN-[1-(6-tert-butylpyridazin-3-yl)piperidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
SMILESCN(c1ccnc(N2CCOCC2)n1)C1CCCN(c2ccc(C(C)(C)C)nn2)C1
InChIInChI=1S/C22H33N7O/c1-22(2,3)18-7-8-20(26-25-18)29-11-5-6-17(16-29)27(4)19-9-10-23-21(24-19)28-12-14-30-15-13-28/h7-10,17H,5-6,11-16H2,1-4H3
InChIKeyLVDFNSSYGDEYJF-UHFFFAOYSA-N
MW411.55 g/mol
LogP2.51
Rot. Bonds4

About N-[1-(6-tert-butylpyridazin-3-yl)piperidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine

N-[1-(6-tert-butylpyridazin-3-yl)piperidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 175650502) has the molecular formula C22H33N7O and a molecular weight of 411.55 g/mol. Its IUPAC name is N-[1-(6-tert-butylpyridazin-3-yl)piperidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(6-tert-butylpyridazin-3-yl)piperidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID175650502
Molecular FormulaC22H33N7O
Molecular Weight411.55 g/mol
Exact Mass411.27
IUPAC NameN-[1-(6-tert-butylpyridazin-3-yl)piperidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
SMILESCN(c1ccnc(N2CCOCC2)n1)C1CCCN(c2ccc(C(C)(C)C)nn2)C1
InChIInChI=1S/C22H33N7O/c1-22(2,3)18-7-8-20(26-25-18)29-11-5-6-17(16-29)27(4)19-9-10-23-21(24-19)28-12-14-30-15-13-28/h7-10,17H,5-6,11-16H2,1-4H3
InChIKeyLVDFNSSYGDEYJF-UHFFFAOYSA-N
XLogP2.51
TPSA70.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-[1-(6-tert-butylpyridazin-3-yl)piperidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine with MolForge

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Related Compounds

N-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172900263
N-methyl-2-morpholin-4-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 172901831
N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172902625
N-[1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172892228
1-(6-tert-butylpyridazin-3-yl)-N,N-dimethylpiperidin-3-amine
CID 134595806
N-methyl-N-[1-(6-methyl-2-pyridinyl)pyrrolidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 175649208
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-2-cyclopropyl-N-methylpyrimidin-4-amine
CID 126918387
N-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172893196
N-methyl-N-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172903124
N-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172892243
2-[3-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]benzonitrile
CID 172903029
N-[1-(5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172900137

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-tert-butylpyridazin-3-yl)piperidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-[1-(6-tert-butylpyridazin-3-yl)piperidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine (CID 175650502) is N-[1-(6-tert-butylpyridazin-3-yl)piperidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(6-tert-butylpyridazin-3-yl)piperidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-[1-(6-tert-butylpyridazin-3-yl)piperidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine is CN(c1ccnc(N2CCOCC2)n1)C1CCCN(c2ccc(C(C)(C)C)nn2)C1.
What is the InChIKey of N-[1-(6-tert-butylpyridazin-3-yl)piperidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is LVDFNSSYGDEYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N7O/c1-22(2,3)18-7-8-20(26-25-18)29-11-5-6-17(16-29)27(4)19-9-10-23-21(24-19)28-12-14-30-15-13-28/h7-10,17H,5-6,11-16H2,1-4H3.
What are the key properties of N-[1-(6-tert-butylpyridazin-3-yl)piperidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine?
N-[1-(6-tert-butylpyridazin-3-yl)piperidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 411.55 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-tert-butylpyridazin-3-yl)piperidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 175650502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).