4-[[(2S)-2-(6-amino-2-methylpyrimidin-4-yl)azetidin-1-yl]methyl]phenol

C15H18N4O — CID 95847351

IUPAC4-[[(2S)-2-(6-amino-2-methylpyrimidin-4-yl)azetidin-1-yl]methyl]phenol
SMILESCc1nc(N)cc([C@@H]2CCN2Cc2ccc(O)cc2)n1
InChIInChI=1S/C15H18N4O/c1-10-17-13(8-15(16)18-10)14-6-7-19(14)9-11-2-4-12(20)5-3-11/h2-5,8,14,20H,6-7,9H2,1H3,(H2,16,17,18)/t14-/m0/s1
InChIKeyOXSFWKCWDPXDDU-AWEZNQCLSA-N
MW270.34 g/mol
LogP2.02
Rot. Bonds3

About 4-[[(2S)-2-(6-amino-2-methylpyrimidin-4-yl)azetidin-1-yl]methyl]phenol

4-[[(2S)-2-(6-amino-2-methylpyrimidin-4-yl)azetidin-1-yl]methyl]phenol (PubChem CID 95847351) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 4-[[(2S)-2-(6-amino-2-methylpyrimidin-4-yl)azetidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[(2S)-2-(6-amino-2-methylpyrimidin-4-yl)azetidin-1-yl]methyl]phenol
PubChem CID95847351
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name4-[[(2S)-2-(6-amino-2-methylpyrimidin-4-yl)azetidin-1-yl]methyl]phenol
SMILESCc1nc(N)cc([C@@H]2CCN2Cc2ccc(O)cc2)n1
InChIInChI=1S/C15H18N4O/c1-10-17-13(8-15(16)18-10)14-6-7-19(14)9-11-2-4-12(20)5-3-11/h2-5,8,14,20H,6-7,9H2,1H3,(H2,16,17,18)/t14-/m0/s1
InChIKeyOXSFWKCWDPXDDU-AWEZNQCLSA-N
XLogP2.02
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[(2S)-2-(6-amino-2-methylpyrimidin-4-yl)azetidin-1-yl]methyl]phenol with MolForge

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Related Compounds

6-[(2S)-1-[(4-methoxyphenyl)methyl]azetidin-2-yl]-2-methylpyrimidin-4-amine
CID 95847401
6-[(2R)-1-(2-methoxyethyl)azetidin-2-yl]-2-methylpyrimidin-4-amine
CID 95847238
N-(2-methoxyethyl)-2-methyl-6-[(2R)-1-[(4-methylphenyl)methyl]azetidin-2-yl]pyrimidin-4-amine
CID 95847329
6-[(2S)-1-benzylazetidin-2-yl]-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine
CID 95847281
6-(1-cyclohexylazetidin-2-yl)-2-methylpyrimidin-4-amine
CID 110271708
3-[6-(1-benzylpyrrolidin-2-yl)-2-methylpyrimidin-4-yl]propanoic acid
CID 132764003
2-[4-[[(2R)-2-[6-(ethylamino)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methyl]phenoxy]acetic acid
CID 124954262
4-[[2-(1-aminoethyl)piperidin-1-yl]methyl]phenol
CID 63254190
4-N-(1-benzylpyrrolidin-3-yl)-2-methylpyrimidine-4,6-diamine
CID 130559123
1-[(2R)-2-(6-amino-2-methylpyrimidin-4-yl)pyrrolidin-1-yl]-2-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 124953815
1-[(2R)-2-(6-amino-2-methylpyrimidin-4-yl)pyrrolidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 124969312
4-[(2S)-1-benzylpiperidin-2-yl]-2-methylpyrimidine
CID 95839904

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-(6-amino-2-methylpyrimidin-4-yl)azetidin-1-yl]methyl]phenol?
The IUPAC name of 4-[[(2S)-2-(6-amino-2-methylpyrimidin-4-yl)azetidin-1-yl]methyl]phenol (CID 95847351) is 4-[[(2S)-2-(6-amino-2-methylpyrimidin-4-yl)azetidin-1-yl]methyl]phenol.
What is the SMILES notation for 4-[[(2S)-2-(6-amino-2-methylpyrimidin-4-yl)azetidin-1-yl]methyl]phenol?
The canonical SMILES for 4-[[(2S)-2-(6-amino-2-methylpyrimidin-4-yl)azetidin-1-yl]methyl]phenol is Cc1nc(N)cc([C@@H]2CCN2Cc2ccc(O)cc2)n1.
What is the InChIKey of 4-[[(2S)-2-(6-amino-2-methylpyrimidin-4-yl)azetidin-1-yl]methyl]phenol?
The InChIKey is OXSFWKCWDPXDDU-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H18N4O/c1-10-17-13(8-15(16)18-10)14-6-7-19(14)9-11-2-4-12(20)5-3-11/h2-5,8,14,20H,6-7,9H2,1H3,(H2,16,17,18)/t14-/m0/s1.
What are the key properties of 4-[[(2S)-2-(6-amino-2-methylpyrimidin-4-yl)azetidin-1-yl]methyl]phenol?
4-[[(2S)-2-(6-amino-2-methylpyrimidin-4-yl)azetidin-1-yl]methyl]phenol has a molecular weight of 270.34 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2-(6-amino-2-methylpyrimidin-4-yl)azetidin-1-yl]methyl]phenol is sourced from PubChem (CID 95847351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).