2-[5-(1,3-dioxolan-2-yl)-2-methyl-6-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-N-(1-methylcyclopropyl)acetamide

C24H29F3N4O3 — CID 138750510

IUPAC2-[5-(1,3-dioxolan-2-yl)-2-methyl-6-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-N-(1-methylcyclopropyl)acetamide
SMILESCc1nc(CC(=O)NC2(C)CC2)c(C2OCCO2)c(N[C@H](C)c2cccc(C(F)(F)F)c2C)n1
InChIInChI=1S/C24H29F3N4O3/c1-13-16(6-5-7-17(13)24(25,26)27)14(2)28-21-20(22-33-10-11-34-22)18(29-15(3)30-21)12-19(32)31-23(4)8-9-23/h5-7,14,22H,8-12H2,1-4H3,(H,31,32)(H,28,29,30)/t14-/m1/s1
InChIKeySGWPYWHPVUESGX-CQSZACIVSA-N
MW478.52 g/mol
LogP4.54
Rot. Bonds7

About 2-[5-(1,3-dioxolan-2-yl)-2-methyl-6-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-N-(1-methylcyclopropyl)acetamide

2-[5-(1,3-dioxolan-2-yl)-2-methyl-6-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-N-(1-methylcyclopropyl)acetamide (PubChem CID 138750510) has the molecular formula C24H29F3N4O3 and a molecular weight of 478.52 g/mol. Its IUPAC name is 2-[5-(1,3-dioxolan-2-yl)-2-methyl-6-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-N-(1-methylcyclopropyl)acetamide.

Molecular Properties

Compound Name2-[5-(1,3-dioxolan-2-yl)-2-methyl-6-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-N-(1-methylcyclopropyl)acetamide
PubChem CID138750510
Molecular FormulaC24H29F3N4O3
Molecular Weight478.52 g/mol
Exact Mass478.22
IUPAC Name2-[5-(1,3-dioxolan-2-yl)-2-methyl-6-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-N-(1-methylcyclopropyl)acetamide
SMILESCc1nc(CC(=O)NC2(C)CC2)c(C2OCCO2)c(N[C@H](C)c2cccc(C(F)(F)F)c2C)n1
InChIInChI=1S/C24H29F3N4O3/c1-13-16(6-5-7-17(13)24(25,26)27)14(2)28-21-20(22-33-10-11-34-22)18(29-15(3)30-21)12-19(32)31-23(4)8-9-23/h5-7,14,22H,8-12H2,1-4H3,(H,31,32)(H,28,29,30)/t14-/m1/s1
InChIKeySGWPYWHPVUESGX-CQSZACIVSA-N
XLogP4.54
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.52
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[5-(1,3-dioxolan-2-yl)-2-methyl-6-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-N-(1-methylcyclopropyl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1,3-dioxolan-2-yl)-2-methyl-6-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-N-(1-methylcyclopropyl)acetamide?
The IUPAC name of 2-[5-(1,3-dioxolan-2-yl)-2-methyl-6-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-N-(1-methylcyclopropyl)acetamide (CID 138750510) is 2-[5-(1,3-dioxolan-2-yl)-2-methyl-6-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-N-(1-methylcyclopropyl)acetamide.
What is the SMILES notation for 2-[5-(1,3-dioxolan-2-yl)-2-methyl-6-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-N-(1-methylcyclopropyl)acetamide?
The canonical SMILES for 2-[5-(1,3-dioxolan-2-yl)-2-methyl-6-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-N-(1-methylcyclopropyl)acetamide is Cc1nc(CC(=O)NC2(C)CC2)c(C2OCCO2)c(N[C@H](C)c2cccc(C(F)(F)F)c2C)n1.
What is the InChIKey of 2-[5-(1,3-dioxolan-2-yl)-2-methyl-6-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-N-(1-methylcyclopropyl)acetamide?
The InChIKey is SGWPYWHPVUESGX-CQSZACIVSA-N. The full InChI is InChI=1S/C24H29F3N4O3/c1-13-16(6-5-7-17(13)24(25,26)27)14(2)28-21-20(22-33-10-11-34-22)18(29-15(3)30-21)12-19(32)31-23(4)8-9-23/h5-7,14,22H,8-12H2,1-4H3,(H,31,32)(H,28,29,30)/t14-/m1/s1.
What are the key properties of 2-[5-(1,3-dioxolan-2-yl)-2-methyl-6-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-N-(1-methylcyclopropyl)acetamide?
2-[5-(1,3-dioxolan-2-yl)-2-methyl-6-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-N-(1-methylcyclopropyl)acetamide has a molecular weight of 478.52 g/mol, XLogP of 4.54, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1,3-dioxolan-2-yl)-2-methyl-6-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-N-(1-methylcyclopropyl)acetamide is sourced from PubChem (CID 138750510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).