N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-4-methoxypyrimidin-2-amine

C17H24N6O — CID 126917853

IUPACN-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(NCC2CN(c3ccc(C(C)(C)C)nn3)C2)n1
InChIInChI=1S/C17H24N6O/c1-17(2,3)13-5-6-14(22-21-13)23-10-12(11-23)9-19-16-18-8-7-15(20-16)24-4/h5-8,12H,9-11H2,1-4H3,(H,18,19,20)
InChIKeyDSVSAFZZQYXKOP-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.12
Rot. Bonds5

About N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-4-methoxypyrimidin-2-amine

N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-4-methoxypyrimidin-2-amine (PubChem CID 126917853) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-4-methoxypyrimidin-2-amine
PubChem CID126917853
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC NameN-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(NCC2CN(c3ccc(C(C)(C)C)nn3)C2)n1
InChIInChI=1S/C17H24N6O/c1-17(2,3)13-5-6-14(22-21-13)23-10-12(11-23)9-19-16-18-8-7-15(20-16)24-4/h5-8,12H,9-11H2,1-4H3,(H,18,19,20)
InChIKeyDSVSAFZZQYXKOP-UHFFFAOYSA-N
XLogP2.12
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-4-methoxypyrimidin-2-amine
CID 126918612
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-3-cyclopropylpyrazin-2-amine
CID 126917924
N-(cyclopentylmethyl)-4-methoxypyrimidin-2-amine
CID 112684482
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]pyrazin-2-amine
CID 126917801
4-methoxy-N-[(3-methylcyclopentyl)methyl]pyrimidin-2-amine
CID 107413823
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-4,5-dimethyl-1,3-thiazol-2-amine
CID 126917974
N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 126917048
6-N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 126917843
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-amine
CID 126918000
N-[(1-ethylpiperidin-3-yl)methyl]-4-methoxypyrimidin-2-amine
CID 75358087
4-methoxy-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]pyrimidin-2-amine
CID 133293203
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-5-fluoro-1,3-benzoxazol-2-amine
CID 126917998

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-4-methoxypyrimidin-2-amine?
The IUPAC name of N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-4-methoxypyrimidin-2-amine (CID 126917853) is N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-4-methoxypyrimidin-2-amine.
What is the SMILES notation for N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-4-methoxypyrimidin-2-amine?
The canonical SMILES for N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-4-methoxypyrimidin-2-amine is COc1ccnc(NCC2CN(c3ccc(C(C)(C)C)nn3)C2)n1.
What is the InChIKey of N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-4-methoxypyrimidin-2-amine?
The InChIKey is DSVSAFZZQYXKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-17(2,3)13-5-6-14(22-21-13)23-10-12(11-23)9-19-16-18-8-7-15(20-16)24-4/h5-8,12H,9-11H2,1-4H3,(H,18,19,20).
What are the key properties of N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-4-methoxypyrimidin-2-amine?
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-4-methoxypyrimidin-2-amine has a molecular weight of 328.42 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 126917853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).