N-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-N-methylpyridazin-3-amine

C20H30N6O — CID 133401370

IUPACN-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-N-methylpyridazin-3-amine
SMILESCOCc1cc(N2CCC(N(C)c3cccnn3)CC2)nc(C(C)(C)C)n1
InChIInChI=1S/C20H30N6O/c1-20(2,3)19-22-15(14-27-5)13-18(23-19)26-11-8-16(9-12-26)25(4)17-7-6-10-21-24-17/h6-7,10,13,16H,8-9,11-12,14H2,1-5H3
InChIKeyBJKWPUHEJIVKTQ-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.82
Rot. Bonds5

About N-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-N-methylpyridazin-3-amine

N-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-N-methylpyridazin-3-amine (PubChem CID 133401370) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is N-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-N-methylpyridazin-3-amine.

Molecular Properties

Compound NameN-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-N-methylpyridazin-3-amine
PubChem CID133401370
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC NameN-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-N-methylpyridazin-3-amine
SMILESCOCc1cc(N2CCC(N(C)c3cccnn3)CC2)nc(C(C)(C)C)n1
InChIInChI=1S/C20H30N6O/c1-20(2,3)19-22-15(14-27-5)13-18(23-19)26-11-8-16(9-12-26)25(4)17-7-6-10-21-24-17/h6-7,10,13,16H,8-9,11-12,14H2,1-5H3
InChIKeyBJKWPUHEJIVKTQ-UHFFFAOYSA-N
XLogP2.82
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-N-methylpyridazin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-tert-butyl-4-(methoxymethyl)-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 133402488
N-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylpyridazin-3-amine
CID 133460399
2-tert-butyl-4-(methoxymethyl)-6-[4-(3-methoxyphenyl)piperidin-1-yl]pyrimidine
CID 133405273
3-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 133402713
2-tert-butyl-4-(methoxymethyl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidine
CID 133400462
1-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]pyrrolidin-2-one
CID 133401351
6-[4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 133401379
4-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-3-yl]morpholine
CID 133402499
2-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-4-methyl-1,3-thiazole
CID 133400871
3-[4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-1-phenylpyrrolidin-2-one
CID 133401831
1-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-3-yl]azepane
CID 133401629
1-[4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-2-ol
CID 133401089

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-N-methylpyridazin-3-amine?
The IUPAC name of N-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-N-methylpyridazin-3-amine (CID 133401370) is N-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-N-methylpyridazin-3-amine.
What is the SMILES notation for N-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-N-methylpyridazin-3-amine?
The canonical SMILES for N-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-N-methylpyridazin-3-amine is COCc1cc(N2CCC(N(C)c3cccnn3)CC2)nc(C(C)(C)C)n1.
What is the InChIKey of N-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-N-methylpyridazin-3-amine?
The InChIKey is BJKWPUHEJIVKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O/c1-20(2,3)19-22-15(14-27-5)13-18(23-19)26-11-8-16(9-12-26)25(4)17-7-6-10-21-24-17/h6-7,10,13,16H,8-9,11-12,14H2,1-5H3.
What are the key properties of N-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-N-methylpyridazin-3-amine?
N-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-N-methylpyridazin-3-amine has a molecular weight of 370.50 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-N-methylpyridazin-3-amine is sourced from PubChem (CID 133401370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).