6-N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine

C18H27N7 — CID 126917843

IUPAC6-N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
SMILESCN(C)c1cc(NCC2CN(c3ccc(C(C)(C)C)nn3)C2)ncn1
InChIInChI=1S/C18H27N7/c1-18(2,3)14-6-7-16(23-22-14)25-10-13(11-25)9-19-15-8-17(24(4)5)21-12-20-15/h6-8,12-13H,9-11H2,1-5H3,(H,19,20,21)
InChIKeyKGNQVIOMOPBGJW-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.18
Rot. Bonds5

About 6-N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine

6-N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine (PubChem CID 126917843) has the molecular formula C18H27N7 and a molecular weight of 341.46 g/mol. Its IUPAC name is 6-N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
PubChem CID126917843
Molecular FormulaC18H27N7
Molecular Weight341.46 g/mol
Exact Mass341.23
IUPAC Name6-N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
SMILESCN(C)c1cc(NCC2CN(c3ccc(C(C)(C)C)nn3)C2)ncn1
InChIInChI=1S/C18H27N7/c1-18(2,3)14-6-7-16(23-22-14)25-10-13(11-25)9-19-15-8-17(24(4)5)21-12-20-15/h6-8,12-13H,9-11H2,1-5H3,(H,19,20,21)
InChIKeyKGNQVIOMOPBGJW-UHFFFAOYSA-N
XLogP2.18
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine with MolForge

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Related Compounds

4-N,4-N-dimethyl-6-N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyrimidine-4,6-diamine
CID 126920285
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]pyrazin-2-amine
CID 126917801
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-amine
CID 126918000
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126917817
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-amine
CID 126918010
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-3-cyclopropylpyrazin-2-amine
CID 126917924
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 126917753
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-4,5-dimethyl-1,3-thiazol-2-amine
CID 126917974
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-4-methoxypyrimidin-2-amine
CID 126917853
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-5-fluoro-1,3-benzoxazol-2-amine
CID 126917998
6-tert-butyl-N-[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyridazin-3-amine
CID 126922492
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 126917981

Frequently Asked Questions

What is the IUPAC name of 6-N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine (CID 126917843) is 6-N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine is CN(C)c1cc(NCC2CN(c3ccc(C(C)(C)C)nn3)C2)ncn1.
What is the InChIKey of 6-N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The InChIKey is KGNQVIOMOPBGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7/c1-18(2,3)14-6-7-16(23-22-14)25-10-13(11-25)9-19-15-8-17(24(4)5)21-12-20-15/h6-8,12-13H,9-11H2,1-5H3,(H,19,20,21).
What are the key properties of 6-N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine?
6-N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine has a molecular weight of 341.46 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 126917843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).