[(3R)-3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone

C27H26N6O2 — CID 124995367

IUPAC[(3R)-3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone
SMILESCc1cc(Oc2ccccc2C)nc([C@@H]2CCCN(C(=O)c3ccc(-c4cncnc4)nc3)C2)n1
InChIInChI=1S/C27H26N6O2/c1-18-6-3-4-8-24(18)35-25-12-19(2)31-26(32-25)21-7-5-11-33(16-21)27(34)20-9-10-23(30-15-20)22-13-28-17-29-14-22/h3-4,6,8-10,12-15,17,21H,5,7,11,16H2,1-2H3/t21-/m1/s1
InChIKeyQLNGBKHOIDCMGB-OAQYLSRUSA-N
MW466.55 g/mol
LogP4.76
Rot. Bonds5

About [(3R)-3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone

[(3R)-3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone (PubChem CID 124995367) has the molecular formula C27H26N6O2 and a molecular weight of 466.55 g/mol. Its IUPAC name is [(3R)-3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[(3R)-3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone
PubChem CID124995367
Molecular FormulaC27H26N6O2
Molecular Weight466.55 g/mol
Exact Mass466.21
IUPAC Name[(3R)-3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone
SMILESCc1cc(Oc2ccccc2C)nc([C@@H]2CCCN(C(=O)c3ccc(-c4cncnc4)nc3)C2)n1
InChIInChI=1S/C27H26N6O2/c1-18-6-3-4-8-24(18)35-25-12-19(2)31-26(32-25)21-7-5-11-33(16-21)27(34)20-9-10-23(30-15-20)22-13-28-17-29-14-22/h3-4,6,8-10,12-15,17,21H,5,7,11,16H2,1-2H3/t21-/m1/s1
InChIKeyQLNGBKHOIDCMGB-OAQYLSRUSA-N
XLogP4.76
TPSA93.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.55
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

[(3R)-3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone
CID 125002633
N-[2-[3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 110256556
[(3S)-3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone
CID 125016518
[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone
CID 124988968
[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone
CID 110148953
(6-amino-3-pyridinyl)-[3-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 110270372
[6-(6-amino-3-pyridinyl)-3-pyridinyl]-[(3S)-3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 124960827
[(3R)-3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-[2-(pyrazol-1-ylmethyl)phenyl]methanone
CID 125003141
cyclopropyl-[(3R)-3-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]methanone
CID 95822243
[(3R)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 125024145
(3-propoxypiperidin-1-yl)-(6-pyrimidin-5-yl-3-pyridinyl)methanone
CID 110090712
[(3R)-3-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 124988915

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone?
The IUPAC name of [(3R)-3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone (CID 124995367) is [(3R)-3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone.
What is the SMILES notation for [(3R)-3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone?
The canonical SMILES for [(3R)-3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone is Cc1cc(Oc2ccccc2C)nc([C@@H]2CCCN(C(=O)c3ccc(-c4cncnc4)nc3)C2)n1.
What is the InChIKey of [(3R)-3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone?
The InChIKey is QLNGBKHOIDCMGB-OAQYLSRUSA-N. The full InChI is InChI=1S/C27H26N6O2/c1-18-6-3-4-8-24(18)35-25-12-19(2)31-26(32-25)21-7-5-11-33(16-21)27(34)20-9-10-23(30-15-20)22-13-28-17-29-14-22/h3-4,6,8-10,12-15,17,21H,5,7,11,16H2,1-2H3/t21-/m1/s1.
What are the key properties of [(3R)-3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone?
[(3R)-3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone has a molecular weight of 466.55 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone is sourced from PubChem (CID 124995367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).