6-[(2S)-1-[(4-methoxyphenyl)methyl]azetidin-2-yl]-2-methylpyrimidin-4-amine

C16H20N4O — CID 95847401

IUPAC6-[(2S)-1-[(4-methoxyphenyl)methyl]azetidin-2-yl]-2-methylpyrimidin-4-amine
SMILESCOc1ccc(CN2CC[C@H]2c2cc(N)nc(C)n2)cc1
InChIInChI=1S/C16H20N4O/c1-11-18-14(9-16(17)19-11)15-7-8-20(15)10-12-3-5-13(21-2)6-4-12/h3-6,9,15H,7-8,10H2,1-2H3,(H2,17,18,19)/t15-/m0/s1
InChIKeyIXHNPQXUNYMAKY-HNNXBMFYSA-N
MW284.36 g/mol
LogP2.32
Rot. Bonds4

About 6-[(2S)-1-[(4-methoxyphenyl)methyl]azetidin-2-yl]-2-methylpyrimidin-4-amine

6-[(2S)-1-[(4-methoxyphenyl)methyl]azetidin-2-yl]-2-methylpyrimidin-4-amine (PubChem CID 95847401) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 6-[(2S)-1-[(4-methoxyphenyl)methyl]azetidin-2-yl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(2S)-1-[(4-methoxyphenyl)methyl]azetidin-2-yl]-2-methylpyrimidin-4-amine
PubChem CID95847401
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name6-[(2S)-1-[(4-methoxyphenyl)methyl]azetidin-2-yl]-2-methylpyrimidin-4-amine
SMILESCOc1ccc(CN2CC[C@H]2c2cc(N)nc(C)n2)cc1
InChIInChI=1S/C16H20N4O/c1-11-18-14(9-16(17)19-11)15-7-8-20(15)10-12-3-5-13(21-2)6-4-12/h3-6,9,15H,7-8,10H2,1-2H3,(H2,17,18,19)/t15-/m0/s1
InChIKeyIXHNPQXUNYMAKY-HNNXBMFYSA-N
XLogP2.32
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(2S)-2-(6-amino-2-methylpyrimidin-4-yl)azetidin-1-yl]methyl]phenol
CID 95847351
N-(2-methoxyethyl)-2-methyl-6-[(2R)-1-[(4-methylphenyl)methyl]azetidin-2-yl]pyrimidin-4-amine
CID 95847329
2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine
CID 20895862
6-[(2S)-1-benzylazetidin-2-yl]-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine
CID 95847281
2-[4-[[(2R)-2-[6-(ethylamino)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methyl]phenoxy]acetic acid
CID 124954262
1-[(2S)-2-[6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidin-4-yl]azetidin-1-yl]ethanone
CID 95847449
3-[(2R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92732564
4-[1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136881746
4-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]pyridine
CID 127245045
[4-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]phenyl]methanol
CID 110008065
5-[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole
CID 110256906
5-chloro-9-[(4-methoxyphenyl)methyl]-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene
CID 44825921

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-1-[(4-methoxyphenyl)methyl]azetidin-2-yl]-2-methylpyrimidin-4-amine?
The IUPAC name of 6-[(2S)-1-[(4-methoxyphenyl)methyl]azetidin-2-yl]-2-methylpyrimidin-4-amine (CID 95847401) is 6-[(2S)-1-[(4-methoxyphenyl)methyl]azetidin-2-yl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-[(2S)-1-[(4-methoxyphenyl)methyl]azetidin-2-yl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-[(2S)-1-[(4-methoxyphenyl)methyl]azetidin-2-yl]-2-methylpyrimidin-4-amine is COc1ccc(CN2CC[C@H]2c2cc(N)nc(C)n2)cc1.
What is the InChIKey of 6-[(2S)-1-[(4-methoxyphenyl)methyl]azetidin-2-yl]-2-methylpyrimidin-4-amine?
The InChIKey is IXHNPQXUNYMAKY-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11-18-14(9-16(17)19-11)15-7-8-20(15)10-12-3-5-13(21-2)6-4-12/h3-6,9,15H,7-8,10H2,1-2H3,(H2,17,18,19)/t15-/m0/s1.
What are the key properties of 6-[(2S)-1-[(4-methoxyphenyl)methyl]azetidin-2-yl]-2-methylpyrimidin-4-amine?
6-[(2S)-1-[(4-methoxyphenyl)methyl]azetidin-2-yl]-2-methylpyrimidin-4-amine has a molecular weight of 284.36 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-1-[(4-methoxyphenyl)methyl]azetidin-2-yl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 95847401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).