3-[6-(dimethylamino)pyrimidin-4-yl]-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol

C19H26N4O — CID 95558826

IUPAC3-[6-(dimethylamino)pyrimidin-4-yl]-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol
SMILESCN(C)c1cc(-c2cc(O)cc(CC[C@@H]3CCCCN3)c2)ncn1
InChIInChI=1S/C19H26N4O/c1-23(2)19-12-18(21-13-22-19)15-9-14(10-17(24)11-15)6-7-16-5-3-4-8-20-16/h9-13,16,20,24H,3-8H2,1-2H3/t16-/m0/s1
InChIKeyDEXBKITYLSMIIE-INIZCTEOSA-N
MW326.44 g/mol
LogP2.99
Rot. Bonds5

About 3-[6-(dimethylamino)pyrimidin-4-yl]-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol

3-[6-(dimethylamino)pyrimidin-4-yl]-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol (PubChem CID 95558826) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-[6-(dimethylamino)pyrimidin-4-yl]-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol.

Molecular Properties

Compound Name3-[6-(dimethylamino)pyrimidin-4-yl]-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol
PubChem CID95558826
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name3-[6-(dimethylamino)pyrimidin-4-yl]-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol
SMILESCN(C)c1cc(-c2cc(O)cc(CC[C@@H]3CCCCN3)c2)ncn1
InChIInChI=1S/C19H26N4O/c1-23(2)19-12-18(21-13-22-19)15-9-14(10-17(24)11-15)6-7-16-5-3-4-8-20-16/h9-13,16,20,24H,3-8H2,1-2H3/t16-/m0/s1
InChIKeyDEXBKITYLSMIIE-INIZCTEOSA-N
XLogP2.99
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[6-[ethyl(methyl)amino]pyrimidin-4-yl]-5-(2-piperidin-2-ylethyl)phenol
CID 56880401
3-[6-(dimethylamino)pyridazin-3-yl]-5-(2-piperidin-2-ylethyl)phenol
CID 56878303
3-[4-(hydroxymethyl)-2-pyridinyl]-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol
CID 95552841
3-(2-piperidin-2-ylethyl)-5-pyrimidin-2-ylphenol
CID 56750474
6-[3-hydroxy-5-[2-[(2R)-piperidin-2-yl]ethyl]phenyl]-N,N-dimethylpyrazine-2-carboxamide
CID 95476511
3-(2-methyl-4-pyridinyl)-5-[2-[(2R)-piperidin-2-yl]ethyl]phenol
CID 95554178
3-(2-piperidin-2-ylethyl)-5-(1-propan-2-ylimidazol-2-yl)phenol
CID 56916448
N-cyclopropyl-2-[3-hydroxy-5-(2-piperidin-2-ylethyl)phenyl]pyridine-4-carboxamide
CID 56876819
6-[3-hydroxy-5-[2-[(2S)-piperidin-2-yl]ethyl]phenyl]-N-propylpyridine-3-carboxamide
CID 95553212
[6-[3-hydroxy-5-[2-[(2S)-piperidin-2-yl]ethyl]phenyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 95399160
3-(1-methyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol
CID 95708911
3-(5-ethylsulfonylthiophen-2-yl)-5-(2-piperidin-2-ylethyl)phenol
CID 56868049

Frequently Asked Questions

What is the IUPAC name of 3-[6-(dimethylamino)pyrimidin-4-yl]-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol?
The IUPAC name of 3-[6-(dimethylamino)pyrimidin-4-yl]-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol (CID 95558826) is 3-[6-(dimethylamino)pyrimidin-4-yl]-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol.
What is the SMILES notation for 3-[6-(dimethylamino)pyrimidin-4-yl]-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol?
The canonical SMILES for 3-[6-(dimethylamino)pyrimidin-4-yl]-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol is CN(C)c1cc(-c2cc(O)cc(CC[C@@H]3CCCCN3)c2)ncn1.
What is the InChIKey of 3-[6-(dimethylamino)pyrimidin-4-yl]-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol?
The InChIKey is DEXBKITYLSMIIE-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N4O/c1-23(2)19-12-18(21-13-22-19)15-9-14(10-17(24)11-15)6-7-16-5-3-4-8-20-16/h9-13,16,20,24H,3-8H2,1-2H3/t16-/m0/s1.
What are the key properties of 3-[6-(dimethylamino)pyrimidin-4-yl]-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol?
3-[6-(dimethylamino)pyrimidin-4-yl]-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol has a molecular weight of 326.44 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(dimethylamino)pyrimidin-4-yl]-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol is sourced from PubChem (CID 95558826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).