2-[4-methyl-6-[[(2S)-oxan-2-yl]methylamino]pyrimidin-2-yl]phenol

C17H21N3O2 — CID 136890725

IUPAC2-[4-methyl-6-[[(2S)-oxan-2-yl]methylamino]pyrimidin-2-yl]phenol
SMILESCc1cc(NC[C@@H]2CCCCO2)nc(-c2ccccc2O)n1
InChIInChI=1S/C17H21N3O2/c1-12-10-16(18-11-13-6-4-5-9-22-13)20-17(19-12)14-7-2-3-8-15(14)21/h2-3,7-8,10,13,21H,4-6,9,11H2,1H3,(H,18,19,20)/t13-/m0/s1
InChIKeyFETXQMDOUWORMO-ZDUSSCGKSA-N
MW299.37 g/mol
LogP3.14
Rot. Bonds4

About 2-[4-methyl-6-[[(2S)-oxan-2-yl]methylamino]pyrimidin-2-yl]phenol

2-[4-methyl-6-[[(2S)-oxan-2-yl]methylamino]pyrimidin-2-yl]phenol (PubChem CID 136890725) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[4-methyl-6-[[(2S)-oxan-2-yl]methylamino]pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-methyl-6-[[(2S)-oxan-2-yl]methylamino]pyrimidin-2-yl]phenol
PubChem CID136890725
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-[4-methyl-6-[[(2S)-oxan-2-yl]methylamino]pyrimidin-2-yl]phenol
SMILESCc1cc(NC[C@@H]2CCCCO2)nc(-c2ccccc2O)n1
InChIInChI=1S/C17H21N3O2/c1-12-10-16(18-11-13-6-4-5-9-22-13)20-17(19-12)14-7-2-3-8-15(14)21/h2-3,7-8,10,13,21H,4-6,9,11H2,1H3,(H,18,19,20)/t13-/m0/s1
InChIKeyFETXQMDOUWORMO-ZDUSSCGKSA-N
XLogP3.14
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 23993069
6-methyl-N-(oxolan-2-ylmethyl)-2-propan-2-ylpyrimidin-4-amine
CID 43395188
4-N-cycloheptyl-6-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880638
6-chloro-2-methyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 62480935
6-methyl-4-N-(oxolan-2-ylmethyl)-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112912422
2-[4-(4-ethylsulfanylphenyl)-6-(oxolan-2-ylmethylamino)-2-pyridinyl]phenol
CID 137290718
6-methyl-2-N-[(3-methylphenyl)methyl]-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112912410
2-N-(2-methoxyphenyl)-6-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112912513
6-methyl-4-N-(oxolan-2-ylmethyl)-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112912524
6-N-[(2-methylphenyl)methyl]-4-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880613
6-methyl-N-(oxolan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112912455
2-N-[(4-chlorophenyl)methyl]-6-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112912417

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-6-[[(2S)-oxan-2-yl]methylamino]pyrimidin-2-yl]phenol?
The IUPAC name of 2-[4-methyl-6-[[(2S)-oxan-2-yl]methylamino]pyrimidin-2-yl]phenol (CID 136890725) is 2-[4-methyl-6-[[(2S)-oxan-2-yl]methylamino]pyrimidin-2-yl]phenol.
What is the SMILES notation for 2-[4-methyl-6-[[(2S)-oxan-2-yl]methylamino]pyrimidin-2-yl]phenol?
The canonical SMILES for 2-[4-methyl-6-[[(2S)-oxan-2-yl]methylamino]pyrimidin-2-yl]phenol is Cc1cc(NC[C@@H]2CCCCO2)nc(-c2ccccc2O)n1.
What is the InChIKey of 2-[4-methyl-6-[[(2S)-oxan-2-yl]methylamino]pyrimidin-2-yl]phenol?
The InChIKey is FETXQMDOUWORMO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12-10-16(18-11-13-6-4-5-9-22-13)20-17(19-12)14-7-2-3-8-15(14)21/h2-3,7-8,10,13,21H,4-6,9,11H2,1H3,(H,18,19,20)/t13-/m0/s1.
What are the key properties of 2-[4-methyl-6-[[(2S)-oxan-2-yl]methylamino]pyrimidin-2-yl]phenol?
2-[4-methyl-6-[[(2S)-oxan-2-yl]methylamino]pyrimidin-2-yl]phenol has a molecular weight of 299.37 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-6-[[(2S)-oxan-2-yl]methylamino]pyrimidin-2-yl]phenol is sourced from PubChem (CID 136890725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).