2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]acetamide

C24H25N7O2 — CID 122316802

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCc1ccnc(Nc2cc(Nc3ccc(NC(=O)Cc4c(C)noc4C)cc3)nc(C)n2)c1
InChIInChI=1S/C24H25N7O2/c1-14-9-10-25-21(11-14)30-23-13-22(26-17(4)27-23)28-18-5-7-19(8-6-18)29-24(32)12-20-15(2)31-33-16(20)3/h5-11,13H,12H2,1-4H3,(H,29,32)(H2,25,26,27,28,30)
InChIKeyLYHZFDGBGPZZGW-UHFFFAOYSA-N
MW443.51 g/mol
LogP4.76
Rot. Bonds7

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]acetamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]acetamide (PubChem CID 122316802) has the molecular formula C24H25N7O2 and a molecular weight of 443.51 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]acetamide
PubChem CID122316802
Molecular FormulaC24H25N7O2
Molecular Weight443.51 g/mol
Exact Mass443.21
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCc1ccnc(Nc2cc(Nc3ccc(NC(=O)Cc4c(C)noc4C)cc3)nc(C)n2)c1
InChIInChI=1S/C24H25N7O2/c1-14-9-10-25-21(11-14)30-23-13-22(26-17(4)27-23)28-18-5-7-19(8-6-18)29-24(32)12-20-15(2)31-33-16(20)3/h5-11,13H,12H2,1-4H3,(H,29,32)(H2,25,26,27,28,30)
InChIKeyLYHZFDGBGPZZGW-UHFFFAOYSA-N
XLogP4.76
TPSA117.86 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methyl-2-pyridinyl)acetamide
CID 17417848
N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-2-naphthalen-1-ylacetamide
CID 122316768
2-(2-fluorophenyl)-N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]acetamide
CID 122316808
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]propanamide
CID 122315502
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(4-methyl-2-pyridinyl)acetamide
CID 35028531
N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 122316885
1-(1,3-benzodioxol-5-yl)-3-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]urea
CID 122316653
N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-2-phenylacetamide
CID 122317010
N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-1-benzothiophene-2-carboxamide
CID 122316823
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]acetamide
CID 139911276
3,4-difluoro-N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]benzamide
CID 122316726
N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-4-methylsulfanylbenzamide
CID 122316843

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]acetamide (CID 122316802) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]acetamide is Cc1ccnc(Nc2cc(Nc3ccc(NC(=O)Cc4c(C)noc4C)cc3)nc(C)n2)c1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]acetamide?
The InChIKey is LYHZFDGBGPZZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O2/c1-14-9-10-25-21(11-14)30-23-13-22(26-17(4)27-23)28-18-5-7-19(8-6-18)29-24(32)12-20-15(2)31-33-16(20)3/h5-11,13H,12H2,1-4H3,(H,29,32)(H2,25,26,27,28,30).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]acetamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]acetamide has a molecular weight of 443.51 g/mol, XLogP of 4.76, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 122316802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).